4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide

C19H20ClNO5 — CID 108796947

IUPAC4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(OC)c(NC(=O)CCC(=O)c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C19H20ClNO5/c1-24-13-5-8-18(26-3)15(11-13)21-19(23)9-6-16(22)14-10-12(20)4-7-17(14)25-2/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,21,23)
InChIKeyLMVPXVHKAQFOOM-UHFFFAOYSA-N
MW377.82 g/mol
LogP3.97
Rot. Bonds8

About 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide

4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide (PubChem CID 108796947) has the molecular formula C19H20ClNO5 and a molecular weight of 377.82 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide
PubChem CID108796947
Molecular FormulaC19H20ClNO5
Molecular Weight377.82 g/mol
Exact Mass377.10
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(OC)c(NC(=O)CCC(=O)c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C19H20ClNO5/c1-24-13-5-8-18(26-3)15(11-13)21-19(23)9-6-16(22)14-10-12(20)4-7-17(14)25-2/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,21,23)
InChIKeyLMVPXVHKAQFOOM-UHFFFAOYSA-N
XLogP3.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide
CID 108796899
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
4-(5-chloro-2-methoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-4-oxobutanamide
CID 108797085
4-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 108796959
4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide
CID 108808249
N-(5-chloro-2-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55906615
N-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110422934
4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 108808305
N-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 9413379
methyl 3-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoate
CID 108745871
4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
CID 108797024
4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide
CID 108797023

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide (CID 108796947) is 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide is COc1ccc(OC)c(NC(=O)CCC(=O)c2cc(Cl)ccc2OC)c1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide?
The InChIKey is LMVPXVHKAQFOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5/c1-24-13-5-8-18(26-3)15(11-13)21-19(23)9-6-16(22)14-10-12(20)4-7-17(14)25-2/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,21,23).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide?
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide has a molecular weight of 377.82 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 108796947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).