2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide

C16H15ClN4O4 — CID 86829368

IUPAC2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4O4/c1-18-16(23)13-8-12(21(24)25)6-7-14(13)19-9-15(22)20-11-4-2-10(17)3-5-11/h2-8,19H,9H2,1H3,(H,18,23)(H,20,22)
InChIKeyGKMYUYLYAYBMLU-UHFFFAOYSA-N
MW362.77 g/mol
LogP2.66
Rot. Bonds6

About 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide

2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide (PubChem CID 86829368) has the molecular formula C16H15ClN4O4 and a molecular weight of 362.77 g/mol. Its IUPAC name is 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide
PubChem CID86829368
Molecular FormulaC16H15ClN4O4
Molecular Weight362.77 g/mol
Exact Mass362.08
IUPAC Name2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4O4/c1-18-16(23)13-8-12(21(24)25)6-7-14(13)19-9-15(22)20-11-4-2-10(17)3-5-11/h2-8,19H,9H2,1H3,(H,18,23)(H,20,22)
InChIKeyGKMYUYLYAYBMLU-UHFFFAOYSA-N
XLogP2.66
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide 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-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide
CID 9099675
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide
CID 9106237
N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963040
4-[2-(methylcarbamoyl)-4-nitroanilino]butanoic acid
CID 122058634
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide
CID 24615148
2-(benzylamino)-N-[(4-chlorophenyl)methyl]-5-nitrobenzamide
CID 3296543
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079831
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
2-(2,4-dinitroanilino)-N-methylacetamide
CID 60647475
2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide
CID 62241799

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide?
The IUPAC name of 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide (CID 86829368) is 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide?
The canonical SMILES for 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide is CNC(=O)c1cc([N+](=O)[O-])ccc1NCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide?
The InChIKey is GKMYUYLYAYBMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O4/c1-18-16(23)13-8-12(21(24)25)6-7-14(13)19-9-15(22)20-11-4-2-10(17)3-5-11/h2-8,19H,9H2,1H3,(H,18,23)(H,20,22).
What are the key properties of 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide?
2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide has a molecular weight of 362.77 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 86829368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).