N-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide

C19H20ClNO2 — CID 2608480

IUPACN-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClNO2/c1-13-3-4-14(2)17(11-13)18(22)9-10-19(23)21-12-15-5-7-16(20)8-6-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyCTHKWOFROYHODC-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.24
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide

N-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide (PubChem CID 2608480) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
PubChem CID2608480
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClNO2/c1-13-3-4-14(2)17(11-13)18(22)9-10-19(23)21-12-15-5-7-16(20)8-6-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyCTHKWOFROYHODC-UHFFFAOYSA-N
XLogP4.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-chlorobenzamide
CID 346668
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
4-chloro-N-(2-oxo-2-phenylethyl)benzamide
CID 832101
4-Chloro-N-phenethylbenzamide
CID 306479
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
CID 11663047
Benzamide derivative 11
CID 41306362
3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 2807080
2-Chloro-N-(2-phenyl-propyl)-benzamide
CID 3116854
N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide
CID 2379578
4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide
CID 732479
4-[(3R)-3-{[2-(4-chlorophenyl)-2-oxoethyl]amino}butyl]benzamide
CID 23647082
Dipeptidyl nitrile inhibitor, 11
CID 44224121

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide (CID 2608480) is N-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide is Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The InChIKey is CTHKWOFROYHODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-13-3-4-14(2)17(11-13)18(22)9-10-19(23)21-12-15-5-7-16(20)8-6-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide?
N-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide has a molecular weight of 329.83 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 2608480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).