4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide

C18H21ClN2O — CID 119300535

IUPAC4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide
SMILESNCCCC(=O)NC(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c19-16-10-8-14(9-11-16)13-17(15-5-2-1-3-6-15)21-18(22)7-4-12-20/h1-3,5-6,8-11,17H,4,7,12-13,20H2,(H,21,22)
InChIKeyOAOVAFYNACSTHW-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.48
Rot. Bonds7

About 4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide

4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide (PubChem CID 119300535) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide
PubChem CID119300535
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide
SMILESNCCCC(=O)NC(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c19-16-10-8-14(9-11-16)13-17(15-5-2-1-3-6-15)21-18(22)7-4-12-20/h1-3,5-6,8-11,17H,4,7,12-13,20H2,(H,21,22)
InChIKeyOAOVAFYNACSTHW-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-(1,2-diphenylethyl)hexanamide
CID 42792343
N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide
CID 60548268
4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide
CID 119312826
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
4-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]butanamide;hydrochloride
CID 119312825
N-(1,2-diphenylethyl)pentanamide
CID 134014505
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56552713
methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate
CID 119320311
N-(1,2-diphenylethyl)-4-(methylamino)butanamide
CID 119689852
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(2-methoxyethoxy)acetamide
CID 60548393
1,2-diphenylethylurea
CID 2853470

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide (CID 119300535) is 4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide is NCCCC(=O)NC(Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide?
The InChIKey is OAOVAFYNACSTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c19-16-10-8-14(9-11-16)13-17(15-5-2-1-3-6-15)21-18(22)7-4-12-20/h1-3,5-6,8-11,17H,4,7,12-13,20H2,(H,21,22).
What are the key properties of 4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide?
4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide has a molecular weight of 316.83 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide is sourced from PubChem (CID 119300535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).