N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide

C17H16ClNO4 — CID 2220274

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide
SMILESCOc1cc(OC)c(NC(=O)CC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C17H16ClNO4/c1-22-15-10-16(23-2)13(8-12(15)18)19-17(21)9-14(20)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,21)
InChIKeyGOYZVLYXWXHLPL-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.57
Rot. Bonds6

About N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide

N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide (PubChem CID 2220274) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide
PubChem CID2220274
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide
SMILESCOc1cc(OC)c(NC(=O)CC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C17H16ClNO4/c1-22-15-10-16(23-2)13(8-12(15)18)19-17(21)9-14(20)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,21)
InChIKeyGOYZVLYXWXHLPL-UHFFFAOYSA-N
XLogP3.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 35678379
N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
CID 7079
2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24565249
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
3-O-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860657
N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 51310881
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108956907
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26620549

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide (CID 2220274) is N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide is COc1cc(OC)c(NC(=O)CC(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide?
The InChIKey is GOYZVLYXWXHLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-22-15-10-16(23-2)13(8-12(15)18)19-17(21)9-14(20)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,21).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide?
N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide has a molecular weight of 333.77 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 2220274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).