N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide

C19H22ClNO — CID 24613384

IUPACN-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
SMILESCCC(NC(=O)CC(C)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO/c1-3-18(16-9-11-17(20)12-10-16)21-19(22)13-14(2)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3,(H,21,22)
InChIKeyWBVDZTSZAACASI-UHFFFAOYSA-N
MW315.84 g/mol
LogP5.10
Rot. Bonds6

About N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide

N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide (PubChem CID 24613384) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
PubChem CID24613384
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC NameN-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
SMILESCCC(NC(=O)CC(C)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO/c1-3-18(16-9-11-17(20)12-10-16)21-19(22)13-14(2)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3,(H,21,22)
InChIKeyWBVDZTSZAACASI-UHFFFAOYSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.84
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 41490453
N-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 17450177
2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide
CID 30399638
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
2-amino-N-[1-(4-chlorophenyl)propyl]-2-phenylacetamide
CID 43704192
N-[1-(4-chlorophenyl)propyl]-2-(2-fluorophenyl)acetamide
CID 18158661
N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide
CID 60548268
N-[1-(4-chlorophenyl)propyl]-2-phenylmethoxyacetamide
CID 55497591
(2S,3S)-2-[[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100106
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide (CID 24613384) is N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide is CCC(NC(=O)CC(C)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide?
The InChIKey is WBVDZTSZAACASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-3-18(16-9-11-17(20)12-10-16)21-19(22)13-14(2)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide?
N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide has a molecular weight of 315.84 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide is sourced from PubChem (CID 24613384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).