N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide

C19H22ClNO — CID 60548268

IUPACN-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H22ClNO/c1-14(2)12-19(22)21-18(16-6-4-3-5-7-16)13-15-8-10-17(20)11-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)
InChIKeyNRSQQQARWYYQOC-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.79
Rot. Bonds6

About N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide

N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide (PubChem CID 60548268) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide
PubChem CID60548268
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC NameN-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H22ClNO/c1-14(2)12-19(22)21-18(16-6-4-3-5-7-16)13-15-8-10-17(20)11-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)
InChIKeyNRSQQQARWYYQOC-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide
CID 119300535
2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567050
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(2-methoxyethoxy)acetamide
CID 60548393
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide
CID 10237327
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56552713
N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
CID 24613384
N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide
CID 135320602
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide
CID 60548183
(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide
CID 47066635

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide (CID 60548268) is N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide is CC(C)CC(=O)NC(Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide?
The InChIKey is NRSQQQARWYYQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-14(2)12-19(22)21-18(16-6-4-3-5-7-16)13-15-8-10-17(20)11-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide?
N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide has a molecular weight of 315.84 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide is sourced from PubChem (CID 60548268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).