4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide

C18H18ClNO3 — CID 26709895

IUPAC4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1NC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-12-3-9-17(23-2)15(11-12)20-18(22)10-8-16(21)13-4-6-14(19)7-5-13/h3-7,9,11H,8,10H2,1-2H3,(H,20,22)
InChIKeyNEGFWPZEWGWVEZ-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.26
Rot. Bonds6

About 4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide

4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide (PubChem CID 26709895) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
PubChem CID26709895
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1NC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-12-3-9-17(23-2)15(11-12)20-18(22)10-8-16(21)13-4-6-14(19)7-5-13/h3-7,9,11H,8,10H2,1-2H3,(H,20,22)
InChIKeyNEGFWPZEWGWVEZ-UHFFFAOYSA-N
XLogP4.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26889665
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26620549
N-(2-methoxy-5-methylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9215408
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
N-(5-chloro-2-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55906615
4-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 108796959
2-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 25392753
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide
CID 108796947
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide (CID 26709895) is 4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide is COc1ccc(C)cc1NC(=O)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The InChIKey is NEGFWPZEWGWVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-12-3-9-17(23-2)15(11-12)20-18(22)10-8-16(21)13-4-6-14(19)7-5-13/h3-7,9,11H,8,10H2,1-2H3,(H,20,22).
What are the key properties of 4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide has a molecular weight of 331.80 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 26709895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).