N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide

C18H15Cl2NO3 — CID 108808163

IUPACN-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide
SMILESCC(=O)c1ccc(Cl)c(NC(=O)CCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H15Cl2NO3/c1-11(22)13-4-7-15(20)16(10-13)21-18(24)9-8-17(23)12-2-5-14(19)6-3-12/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyWHSSNDAKVSMYQG-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.80
Rot. Bonds6

About N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide

N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide (PubChem CID 108808163) has the molecular formula C18H15Cl2NO3 and a molecular weight of 364.23 g/mol. Its IUPAC name is N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide
PubChem CID108808163
Molecular FormulaC18H15Cl2NO3
Molecular Weight364.23 g/mol
Exact Mass363.04
IUPAC NameN-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide
SMILESCC(=O)c1ccc(Cl)c(NC(=O)CCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H15Cl2NO3/c1-11(22)13-4-7-15(20)16(10-13)21-18(24)9-8-17(23)12-2-5-14(19)6-3-12/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyWHSSNDAKVSMYQG-UHFFFAOYSA-N
XLogP4.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide
CID 108807598
N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26664486
4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide
CID 108808181
methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110424495
N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26889665
N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide
CID 108802815
4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide
CID 38168905
methyl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-3-hydroxybenzoate
CID 108744924
4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 26709895
N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969055
N-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide
CID 71917349
methyl 4-chloro-3-[(5-oxo-5-phenylpentanoyl)amino]benzoate
CID 110356123

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide?
The IUPAC name of N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide (CID 108808163) is N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide is CC(=O)c1ccc(Cl)c(NC(=O)CCC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide?
The InChIKey is WHSSNDAKVSMYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO3/c1-11(22)13-4-7-15(20)16(10-13)21-18(24)9-8-17(23)12-2-5-14(19)6-3-12/h2-7,10H,8-9H2,1H3,(H,21,24).
What are the key properties of N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide?
N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide has a molecular weight of 364.23 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 108808163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).