HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

1-N,3-N-bis(4-chlorophenyl)benzene-1,3-dicarboxamide

HCID 984617
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
181872-35-5
Standard SMILES
O=C(Nc1ccc(Cl)cc1)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1
InChIKey
HRQNBXPSTGVBRL-UHFFFAOYSA-N
Molecular formula
C20H14Cl2N2O2
Average molar mass
385.2 g/mol
Monoisotopic mass
384.0432331

Names & identifiers

Preferred name
1-N,3-N-bis(4-chlorophenyl)benzene-1,3-dicarboxamide
IUPAC
1-N,3-N-bis(4-chlorophenyl)benzene-1,3-dicarboxamide
English name
1-N,3-N-bis(4-chlorophenyl)benzene-1,3-dicarboxamide
Molecular formula
C20H14Cl2N2O2
Molecular weight
385.24

Names & synonyms

Oprea1_5615361-N,3-N-bis(4-chlorophenyl)benzene-1,3-dicarboxamideSCHEMBL27481765STL260619AKOS001604047ST011865N~1~,N~3~-bis(4-chlorophenyl)isophthalamideSR-01000407033N,N'-bis(4-chlorophenyl)benzene-1,3-dicarboxamideSR-01000407033-1N~1~,N~3~-bis(4-chlorophenyl)benzene-1,3-dicarboxamideN-(4-chlorophenyl){3-[N-(4-chlorophenyl)carbamoyl]phenyl}carboxamide
Show more names
N,N'-BIS-(4-CHLORO-PHENYL)-ISOPHTHALAMIDEN,N'-BIS-(4-CHLORO-PHENYL)-ISOPHTHALAMIDE1,3-Benzenedicarboxamide, N1,N3-bis(4-chlorophenyl)-
181872-35-5

Database identifiers

CAS
181872-35-5
PubChem CID
984617
EC Number
163-654-7
Nikkaji
J3.103.972J

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
26
Formal charge
0
Complexity
444

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAquatic Chronic 4 (100%)

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes