2-chloro-3-(4-chloro-3-nitrophenyl)propanamide

C9H8Cl2N2O3 — CID 104513124

IUPAC2-chloro-3-(4-chloro-3-nitrophenyl)propanamide
SMILESNC(=O)C(Cl)Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(11)9(12)14)4-8(6)13(15)16/h1-2,4,7H,3H2,(H2,12,14)
InChIKeyAFTXMMGGZCLUQV-UHFFFAOYSA-N
MW263.08 g/mol
LogP1.88
Rot. Bonds4

About 2-chloro-3-(4-chloro-3-nitrophenyl)propanamide

2-chloro-3-(4-chloro-3-nitrophenyl)propanamide (PubChem CID 104513124) has the molecular formula C9H8Cl2N2O3 and a molecular weight of 263.08 g/mol. Its IUPAC name is 2-chloro-3-(4-chloro-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-chloro-3-(4-chloro-3-nitrophenyl)propanamide
PubChem CID104513124
Molecular FormulaC9H8Cl2N2O3
Molecular Weight263.08 g/mol
Exact Mass261.99
IUPAC Name2-chloro-3-(4-chloro-3-nitrophenyl)propanamide
SMILESNC(=O)C(Cl)Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(11)9(12)14)4-8(6)13(15)16/h1-2,4,7H,3H2,(H2,12,14)
InChIKeyAFTXMMGGZCLUQV-UHFFFAOYSA-N
XLogP1.88
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-3-(4-chloro-3-nitrophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide
CID 62923477
1-(4-chloro-3-nitrophenyl)-3-(4-chlorophenyl)propan-2-one
CID 165048389
2-chloro-3-(5-fluoro-2-nitrophenyl)propanamide
CID 104513275
(4-chloro-3-nitrophenyl) carbamate
CID 175197742
2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide
CID 104513136
2-[(4-chloro-3-nitrophenyl)methylamino]propanoic acid
CID 82364703
ethyl 2-[(4-chloro-3-nitrophenyl)methylsulfanyl]acetate
CID 43618243
methyl 3-[(4-chloro-3-nitrophenyl)methylamino]propanoate
CID 113335370
4-chloro-3-nitrobenzohydrazide
CID 3704353
1-chloro-4-[(4-methylphenyl)methyl]-2-nitrobenzene
CID 59408136
5-[(4-chloro-3-nitrophenyl)methylamino]pentan-1-ol
CID 82364708
2-[4-(4-chloro-3-nitrophenyl)sulfanylphenyl]acetic acid
CID 91876949

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-chloro-3-nitrophenyl)propanamide?
The IUPAC name of 2-chloro-3-(4-chloro-3-nitrophenyl)propanamide (CID 104513124) is 2-chloro-3-(4-chloro-3-nitrophenyl)propanamide.
What is the SMILES notation for 2-chloro-3-(4-chloro-3-nitrophenyl)propanamide?
The canonical SMILES for 2-chloro-3-(4-chloro-3-nitrophenyl)propanamide is NC(=O)C(Cl)Cc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-3-(4-chloro-3-nitrophenyl)propanamide?
The InChIKey is AFTXMMGGZCLUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(11)9(12)14)4-8(6)13(15)16/h1-2,4,7H,3H2,(H2,12,14).
What are the key properties of 2-chloro-3-(4-chloro-3-nitrophenyl)propanamide?
2-chloro-3-(4-chloro-3-nitrophenyl)propanamide has a molecular weight of 263.08 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-chloro-3-nitrophenyl)propanamide is sourced from PubChem (CID 104513124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).