4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide

C15H13ClN2O3 — CID 721213

IUPAC4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H13ClN2O3/c1-10(11-5-3-2-4-6-11)17-15(19)12-7-8-13(16)14(9-12)18(20)21/h2-10H,1H3,(H,17,19)/t10-/m1/s1
InChIKeyGHGCCJAKGPIRJG-SNVBAGLBSA-N
MW304.73 g/mol
LogP3.74
Rot. Bonds4

About 4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide

4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 721213) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide
PubChem CID721213
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H13ClN2O3/c1-10(11-5-3-2-4-6-11)17-15(19)12-7-8-13(16)14(9-12)18(20)21/h2-10H,1H3,(H,17,19)/t10-/m1/s1
InChIKeyGHGCCJAKGPIRJG-SNVBAGLBSA-N
XLogP3.74
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide 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

4-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]-3-nitrobenzamide
CID 30397300
4-chloro-N-[1-(4-ethylphenyl)ethyl]-3-nitrobenzamide
CID 17326814
4-methylsulfonyl-3-nitro-N-(1-phenylethyl)benzamide
CID 112759832
4-chloro-3-nitro-N-(4-phenylbutan-2-yl)benzamide
CID 3377571
N-[(2S)-1-anilino-1-oxopropan-2-yl]-4-chloro-3-nitrobenzamide
CID 9138292
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
4-chloro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-nitrobenzamide
CID 7670836
4-chloro-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
CID 115636083
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-nitrobenzamide
CID 79248861
4-chloro-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104855063
4-chloro-N-[3-[(1R)-1-hydroxyethyl]phenyl]-3-nitrobenzamide
CID 100803593
4-chloro-N-(3-hydroxy-3-phenylpropyl)-3-nitrobenzamide
CID 90499571

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide (CID 721213) is 4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of 4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is GHGCCJAKGPIRJG-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-10(11-5-3-2-4-6-11)17-15(19)12-7-8-13(16)14(9-12)18(20)21/h2-10H,1H3,(H,17,19)/t10-/m1/s1.
What are the key properties of 4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide?
4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 304.73 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 721213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).