2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide

C18H19ClN2O2 — CID 4157890

IUPAC2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)CCCl)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-13(14-7-3-2-4-8-14)20-18(23)15-9-5-6-10-16(15)21-17(22)11-12-19/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyAUKJBEHWPITLSM-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.74
Rot. Bonds6

About 2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide

2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide (PubChem CID 4157890) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
PubChem CID4157890
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)CCCl)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-13(14-7-3-2-4-8-14)20-18(23)15-9-5-6-10-16(15)21-17(22)11-12-19/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyAUKJBEHWPITLSM-UHFFFAOYSA-N
XLogP3.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(3-chloropropanoylamino)-N-(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

2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 100600751
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 92540792
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 92540793
2-[[2-(2-methylphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16557303
N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515353
2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 42949097
2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54795752
2-phenylethyl 4-oxo-4-[2-(1-phenylethylcarbamoyl)anilino]butanoate
CID 4946844
2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide
CID 43000358
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide (CID 4157890) is 2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccccc1NC(=O)CCCl)c1ccccc1.
What is the InChIKey of 2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide?
The InChIKey is AUKJBEHWPITLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13(14-7-3-2-4-8-14)20-18(23)15-9-5-6-10-16(15)21-17(22)11-12-19/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide?
2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide has a molecular weight of 330.82 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 4157890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).