N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide

HCID 96110CAS 63163-96-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)C(=O)CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIKey
HJVPUVSOKRKPPC-UHFFFAOYSA-N
Molecular formula
C13H15ClN2O4
Average molar mass
298.72 g/mol
Monoisotopic mass
298.07203464

Names & identifiers

Preferred name
N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide
IUPAC
N-(2-chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide
English name
N-(2-chloro-5-nitrophenyl)-4,4-dimethyl-3-oxovaleramide
Molecular formula
C13H15ClN2O4
Molecular weight
298.72

Names & synonyms

63163-96-2N-(2-chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamidePentanamide, N-(2-chloro-5-nitrophenyl)-4,4-dimethyl-3-oxo-79P8RG57TPEINECS 263-979-5NSC-53164UNII-79P8RG57TPDTXSID0069751NSC 53164RefChem:161694DTXCID8043735263-979-5
Show more names
HJVPUVSOKRKPPC-UHFFFAOYSA-NN-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxovaleramideNSC53164CBDivE_002093Pentanamide,4-dimethyl-3-oxo-SCHEMBL6163236STK366120AKOS005443305

Database identifiers

CAS
63163-96-2
PubChem CID
96110
DTXSID
DTXSID0069751
UNII
79P8RG57TP
EC Number
263-979-5
Nikkaji
J73.130G

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
92 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
20

Physicochemical properties

FDA UNII
79 P8RG57TP · 79P8RG57TP
EPA Substance Registry System
Pentanamide, N-(2-chloro-5-nitrophenyl)-4,4-dimethyl-3-oxo- (63163-96-2)
TSCA
TSCA listed

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPentanamide, N-(2-chloro-5-nitrophenyl)-4,4-dimethyl-3-oxo-: ACTIVE

Suppliers1 total

Alfa Chemistry+1-5166625404 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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