2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide

C9H9ClN4O4 — CID 71375183

IUPAC2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9ClN4O4/c10-5-8(15)11-9(16)13-12-6-1-3-7(4-2-6)14(17)18/h1-4,12H,5H2,(H2,11,13,15,16)
InChIKeyAUMCTIJAMCMYQJ-UHFFFAOYSA-N
MW272.65 g/mol
LogP0.99
Rot. Bonds4

About 2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide

2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide (PubChem CID 71375183) has the molecular formula C9H9ClN4O4 and a molecular weight of 272.65 g/mol. Its IUPAC name is 2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide
PubChem CID71375183
Molecular FormulaC9H9ClN4O4
Molecular Weight272.65 g/mol
Exact Mass272.03
IUPAC Name2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9ClN4O4/c10-5-8(15)11-9(16)13-12-6-1-3-7(4-2-6)14(17)18/h1-4,12H,5H2,(H2,11,13,15,16)
InChIKeyAUMCTIJAMCMYQJ-UHFFFAOYSA-N
XLogP0.99
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.65
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-N-[(4-nitroanilino)carbamoyl]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

1-(4-aminoperoxyanilino)-3-(4-nitroanilino)urea
CID 22948562
2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid
CID 117061946
2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide
CID 4682607
sodium;2-chloroacetate;1,4-dinitrobenzene
CID 88733321
N-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide
CID 143394748
2-(4-nitrophenoxy)-N'-phenylacetohydrazide
CID 739659
(4-nitroanilino) carbonochloridate
CID 123545253
2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 22505904
4-chloro-N-(4-nitrophenyl)butanamide
CID 4586248
N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
CID 11981942
1-(4-nitroanilino)-3-prop-2-enylthiourea
CID 3837380
benzyl N-(4-nitroanilino)carbamate
CID 101274161

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide (CID 71375183) is 2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide is O=C(CCl)NC(=O)NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide?
The InChIKey is AUMCTIJAMCMYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O4/c10-5-8(15)11-9(16)13-12-6-1-3-7(4-2-6)14(17)18/h1-4,12H,5H2,(H2,11,13,15,16).
What are the key properties of 2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide?
2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide has a molecular weight of 272.65 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide is sourced from PubChem (CID 71375183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).