2-anilino-N-(3-chloro-4-nitrophenyl)acetamide

C14H12ClN3O3 — CID 82865777

IUPAC2-anilino-N-(3-chloro-4-nitrophenyl)acetamide
SMILESO=C(CNc1ccccc1)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C14H12ClN3O3/c15-12-8-11(6-7-13(12)18(20)21)17-14(19)9-16-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,19)
InChIKeyGTWYKZRKLWWDCH-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.30
Rot. Bonds5

About 2-anilino-N-(3-chloro-4-nitrophenyl)acetamide

2-anilino-N-(3-chloro-4-nitrophenyl)acetamide (PubChem CID 82865777) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-anilino-N-(3-chloro-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(3-chloro-4-nitrophenyl)acetamide
PubChem CID82865777
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name2-anilino-N-(3-chloro-4-nitrophenyl)acetamide
SMILESO=C(CNc1ccccc1)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C14H12ClN3O3/c15-12-8-11(6-7-13(12)18(20)21)17-14(19)9-16-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,19)
InChIKeyGTWYKZRKLWWDCH-UHFFFAOYSA-N
XLogP3.30
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-anilino-N-(3-chloro-4-nitrophenyl)acetamide 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-(3-chloro-4-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 104570274
5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid
CID 60861944
N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 9099793
3-[3-(3-chloro-4-nitroanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-4-nitrophenyl)propanamide
CID 3690405
2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide
CID 4849504
2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide
CID 18078607
2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide
CID 679045
ethyl N-(3-chloro-4-nitrophenyl)carbamate
CID 22921588
2-anilino-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 60927630
2-anilino-N-(4-bromo-2-nitrophenyl)acetamide
CID 60860936
N-(3-chloro-4-nitrophenyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide
CID 3688730
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(3-chloro-4-nitrophenyl)acetamide?
The IUPAC name of 2-anilino-N-(3-chloro-4-nitrophenyl)acetamide (CID 82865777) is 2-anilino-N-(3-chloro-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-anilino-N-(3-chloro-4-nitrophenyl)acetamide?
The canonical SMILES for 2-anilino-N-(3-chloro-4-nitrophenyl)acetamide is O=C(CNc1ccccc1)Nc1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 2-anilino-N-(3-chloro-4-nitrophenyl)acetamide?
The InChIKey is GTWYKZRKLWWDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-12-8-11(6-7-13(12)18(20)21)17-14(19)9-16-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,19).
What are the key properties of 2-anilino-N-(3-chloro-4-nitrophenyl)acetamide?
2-anilino-N-(3-chloro-4-nitrophenyl)acetamide has a molecular weight of 305.72 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(3-chloro-4-nitrophenyl)acetamide is sourced from PubChem (CID 82865777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).