N-(5-chloro-2-methylphenyl)-3-phenylbutanamide

C17H18ClNO — CID 2915392

IUPACN-(5-chloro-2-methylphenyl)-3-phenylbutanamide
SMILESCc1ccc(Cl)cc1NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C17H18ClNO/c1-12-8-9-15(18)11-16(12)19-17(20)10-13(2)14-6-4-3-5-7-14/h3-9,11,13H,10H2,1-2H3,(H,19,20)
InChIKeyPSESEQPAPYZLDW-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.78
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-3-phenylbutanamide

N-(5-chloro-2-methylphenyl)-3-phenylbutanamide (PubChem CID 2915392) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-phenylbutanamide
PubChem CID2915392
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-(5-chloro-2-methylphenyl)-3-phenylbutanamide
SMILESCc1ccc(Cl)cc1NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C17H18ClNO/c1-12-8-9-15(18)11-16(12)19-17(20)10-13(2)14-6-4-3-5-7-14/h3-9,11,13H,10H2,1-2H3,(H,19,20)
InChIKeyPSESEQPAPYZLDW-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide
CID 104502076
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 8502250
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795375
(3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide
CID 798501
2-amino-4-(5-chloro-2-methylanilino)-4-oxobutanoic acid
CID 3373131
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485
N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150897
5-chloro-2-methyl-N-(2-phenylpropyl)aniline
CID 43103911
(3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide
CID 1122017

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-phenylbutanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-phenylbutanamide (CID 2915392) is N-(5-chloro-2-methylphenyl)-3-phenylbutanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-phenylbutanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-phenylbutanamide is Cc1ccc(Cl)cc1NC(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-phenylbutanamide?
The InChIKey is PSESEQPAPYZLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12-8-9-15(18)11-16(12)19-17(20)10-13(2)14-6-4-3-5-7-14/h3-9,11,13H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-phenylbutanamide?
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide has a molecular weight of 287.79 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-phenylbutanamide is sourced from PubChem (CID 2915392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).