N-(3-anilino-3-phenylpropyl)-2-chloroacetamide

C17H19ClN2O — CID 13121261

IUPACN-(3-anilino-3-phenylpropyl)-2-chloroacetamide
SMILESO=C(CCl)NCCC(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c18-13-17(21)19-12-11-16(14-7-3-1-4-8-14)20-15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H,19,21)
InChIKeyJHFNMRRUAQUOSC-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.58
Rot. Bonds7

About N-(3-anilino-3-phenylpropyl)-2-chloroacetamide

N-(3-anilino-3-phenylpropyl)-2-chloroacetamide (PubChem CID 13121261) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(3-anilino-3-phenylpropyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(3-anilino-3-phenylpropyl)-2-chloroacetamide
PubChem CID13121261
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(3-anilino-3-phenylpropyl)-2-chloroacetamide
SMILESO=C(CCl)NCCC(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c18-13-17(21)19-12-11-16(14-7-3-1-4-8-14)20-15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H,19,21)
InChIKeyJHFNMRRUAQUOSC-UHFFFAOYSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-anilino-3-phenylpropyl)-2-chloroacetamide 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-chloro-N-(4,4-diphenylbutyl)acetamide
CID 69448505
N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide
CID 20504940
2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride
CID 146094450
methyl 5-anilino-5-phenylpentanoate
CID 11818425
2-chloro-N-(2-phenyl-2-sulfanylethyl)acetamide
CID 57036315
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
N-[3-anilino-3-(3-butylphenyl)propyl]benzamide
CID 20505007
benzyl N-[(3S)-3-(4-nitroanilino)-3-phenylpropyl]carbamate
CID 135026679
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
N-[3-(2-methylanilino)-3-phenylpropyl]benzamide
CID 20504938
methyl 4-[(2-chloroacetyl)amino]-4-phenylbutanoate
CID 154856523
4-chloro-N-(3-phenylbutyl)butanamide
CID 63308144

Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-3-phenylpropyl)-2-chloroacetamide?
The IUPAC name of N-(3-anilino-3-phenylpropyl)-2-chloroacetamide (CID 13121261) is N-(3-anilino-3-phenylpropyl)-2-chloroacetamide.
What is the SMILES notation for N-(3-anilino-3-phenylpropyl)-2-chloroacetamide?
The canonical SMILES for N-(3-anilino-3-phenylpropyl)-2-chloroacetamide is O=C(CCl)NCCC(Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-anilino-3-phenylpropyl)-2-chloroacetamide?
The InChIKey is JHFNMRRUAQUOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-13-17(21)19-12-11-16(14-7-3-1-4-8-14)20-15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H,19,21).
What are the key properties of N-(3-anilino-3-phenylpropyl)-2-chloroacetamide?
N-(3-anilino-3-phenylpropyl)-2-chloroacetamide has a molecular weight of 302.81 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-3-phenylpropyl)-2-chloroacetamide is sourced from PubChem (CID 13121261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).