N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide

C16H14ClN3O4 — CID 895181

IUPACN-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H14ClN3O4/c1-2-15(21)18-10-7-8-12(17)13(9-10)19-16(22)11-5-3-4-6-14(11)20(23)24/h3-9H,2H2,1H3,(H,18,21)(H,19,22)
InChIKeyKDWXXXYNXQPPIR-UHFFFAOYSA-N
MW347.76 g/mol
LogP3.85
Rot. Bonds5

About N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide

N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide (PubChem CID 895181) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide
PubChem CID895181
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC NameN-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H14ClN3O4/c1-2-15(21)18-10-7-8-12(17)13(9-10)19-16(22)11-5-3-4-6-14(11)20(23)24/h3-9H,2H2,1H3,(H,18,21)(H,19,22)
InChIKeyKDWXXXYNXQPPIR-UHFFFAOYSA-N
XLogP3.85
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 53.85
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 N-[2-chloro-5-(propanoylamino)phenyl]-2-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

N-[2-chloro-5-(propanoylamino)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 22776195
N-[2-chloro-5-(propanoylamino)phenyl]-3,5-dinitrobenzamide
CID 55799201
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
CID 64786319
N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide
CID 55799168
N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-nitrobenzamide
CID 7553469
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 3909607
N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 171686511
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-nitrobenzamide
CID 31182781
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-nitrobenzoate
CID 2619683

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide?
The IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide (CID 895181) is N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide.
What is the SMILES notation for N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide?
The canonical SMILES for N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide?
The InChIKey is KDWXXXYNXQPPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-2-15(21)18-10-7-8-12(17)13(9-10)19-16(22)11-5-3-4-6-14(11)20(23)24/h3-9H,2H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide?
N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide has a molecular weight of 347.76 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide is sourced from PubChem (CID 895181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).