Benzamide, 5-chloro-N-(4-chlorophenyl)-2-nitro-

HCID 873788

Notes Reactions

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Basic information

CAS: 188604-94-6
Standard SMILES: O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIKey: BBLXXVTZPNCJRT-UHFFFAOYSA-N
Molecular formula: C13H8Cl2N2O3
Average molar mass: 311.12 g/mol
Monoisotopic mass: 309.99119748

Names & identifiers

Preferred name: Benzamide, 5-chloro-N-(4-chlorophenyl)-2-nitro-
IUPAC: 5-chloro-N-(4-chlorophenyl)-2-nitrobenzamide

Names & synonyms

Benzamide, 5-chloro-N-(4-chlorophenyl)-2-nitro-188604-94-65-chloro-N-(4-chlorophenyl)-2-nitrobenzamideCBMicro_003944Oprea1_683174SCHEMBL6591721DTXSID90357979BBLXXVTZPNCJRT-UHFFFAOYSA-NSMSF0014149STK427666AKOS003269520CB06114

Show more names

BIM-0004130.P001DB-107572ST50918854N-(4-chlorophenyl)-5-chloro-2-nitrobenzamideSR-01000227959SR-01000227959-1(5-chloro-2-nitrophenyl)-N-(4-chlorophenyl)carboxamide

Database identifiers

CAS: 188604-94-6
PubChem CID: 873788
DTXSID: DTXSID90357979

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 367

Related reactions

8 records

New reaction record

HRID 370070As productuspto-grants-2000_10

HRID 370071As reactantuspto-grants-2000_10

HRID 690690As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 844140As productuspto-grants-2002_04

HRID 844141As reactantuspto-grants-2002_04

HRID 941580As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 2300900As productuspto-grants-2002_12

HRID 2300901As reactantuspto-grants-2002_12

Compound notes

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