N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

C19H20ClNO3 — CID 108795963

IUPACN-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C19H20ClNO3/c1-12-4-8-18(24-3)15(10-12)17(22)7-9-19(23)21-14-6-5-13(2)16(20)11-14/h4-6,8,10-11H,7,9H2,1-3H3,(H,21,23)
InChIKeyJDRUHFPTAUCHEP-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.57
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (PubChem CID 108795963) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
PubChem CID108795963
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C19H20ClNO3/c1-12-4-8-18(24-3)15(10-12)17(22)7-9-19(23)21-14-6-5-13(2)16(20)11-14/h4-6,8,10-11H,7,9H2,1-3H3,(H,21,23)
InChIKeyJDRUHFPTAUCHEP-UHFFFAOYSA-N
XLogP4.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108807431
N-[4-(dimethylamino)phenyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796073
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 108796107
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 2469868
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide
CID 18107404
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 108807471
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 108807479
4-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 108796959
4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid
CID 108808232
4-(2,5-dimethylphenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 4968937
4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
CID 108797024

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (CID 108795963) is N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The InChIKey is JDRUHFPTAUCHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-12-4-8-18(24-3)15(10-12)17(22)7-9-19(23)21-14-6-5-13(2)16(20)11-14/h4-6,8,10-11H,7,9H2,1-3H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide has a molecular weight of 345.83 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 108795963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).