N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide

C18H18ClNO3 — CID 9397958

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C18H18ClNO3/c1-12-10-15(17(23-2)11-14(12)19)20-18(22)9-8-16(21)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)
InChIKeyVMRJGPIVHFGOMW-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.26
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide (PubChem CID 9397958) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
PubChem CID9397958
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C18H18ClNO3/c1-12-10-15(17(23-2)11-14(12)19)20-18(22)9-8-16(21)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)
InChIKeyVMRJGPIVHFGOMW-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-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55914142
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26620549
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutan-2-yl]benzamide
CID 78804763
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide
CID 895197
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
CID 55914654
N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485
N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide
CID 2220274
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide (CID 9397958) is N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide is COc1cc(Cl)c(C)cc1NC(=O)CCC(=O)c1ccccc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide?
The InChIKey is VMRJGPIVHFGOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-12-10-15(17(23-2)11-14(12)19)20-18(22)9-8-16(21)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide 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 N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 9397958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).