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

C17H14Cl3NO3 — CID 108796899

IUPAC4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl3NO3/c1-24-16-6-3-10(18)8-12(16)15(22)5-7-17(23)21-14-9-11(19)2-4-13(14)20/h2-4,6,8-9H,5,7H2,1H3,(H,21,23)
InChIKeyQNZTXTYNGHTDMZ-UHFFFAOYSA-N
MW386.66 g/mol
LogP5.26
Rot. Bonds6

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

4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide (PubChem CID 108796899) has the molecular formula C17H14Cl3NO3 and a molecular weight of 386.66 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide
PubChem CID108796899
Molecular FormulaC17H14Cl3NO3
Molecular Weight386.66 g/mol
Exact Mass385.00
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl3NO3/c1-24-16-6-3-10(18)8-12(16)15(22)5-7-17(23)21-14-9-11(19)2-4-13(14)20/h2-4,6,8-9H,5,7H2,1H3,(H,21,23)
InChIKeyQNZTXTYNGHTDMZ-UHFFFAOYSA-N
XLogP5.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.66
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide
CID 108796947
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
4-(5-chloro-2-methoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-4-oxobutanamide
CID 108797085
methyl 3-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoate
CID 108745871
N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040075
N-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 9413379
4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
CID 108797024
N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide
CID 108797043
4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 108808305
4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid
CID 108808232
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide (CID 108796899) is 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide is COc1ccc(Cl)cc1C(=O)CCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide?
The InChIKey is QNZTXTYNGHTDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3NO3/c1-24-16-6-3-10(18)8-12(16)15(22)5-7-17(23)21-14-9-11(19)2-4-13(14)20/h2-4,6,8-9H,5,7H2,1H3,(H,21,23).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide?
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide has a molecular weight of 386.66 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 108796899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).