2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide

C24H21ClN2O4 — CID 55343011

IUPAC2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)CCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H21ClN2O4/c1-31-19-6-4-5-18(15-19)26-24(30)20-7-2-3-8-21(20)27-23(29)14-13-22(28)16-9-11-17(25)12-10-16/h2-12,15H,13-14H2,1H3,(H,26,30)(H,27,29)
InChIKeyWNSFVJHEWPYAIP-UHFFFAOYSA-N
MW436.90 g/mol
LogP5.20
Rot. Bonds8

About 2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide

2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide (PubChem CID 55343011) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide
PubChem CID55343011
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC Name2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)CCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H21ClN2O4/c1-31-19-6-4-5-18(15-19)26-24(30)20-7-2-3-8-21(20)27-23(29)14-13-22(28)16-9-11-17(25)12-10-16/h2-12,15H,13-14H2,1H3,(H,26,30)(H,27,29)
InChIKeyWNSFVJHEWPYAIP-UHFFFAOYSA-N
XLogP5.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.90
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55342717
2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 29263476
N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55577306
2-[[2-(2-fluorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 2516706
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)propanoylamino]benzamide
CID 55456678
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
2-[3-(2-ethoxyphenyl)propanoylamino]-N-(3-methoxyphenyl)benzamide
CID 55380656
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide
CID 4787980
4-[2-[(3-chlorophenyl)carbamoyl]anilino]-4-oxobutanoic acid
CID 851960

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide (CID 55343011) is 2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccccc2NC(=O)CCC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide?
The InChIKey is WNSFVJHEWPYAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c1-31-19-6-4-5-18(15-19)26-24(30)20-7-2-3-8-21(20)27-23(29)14-13-22(28)16-9-11-17(25)12-10-16/h2-12,15H,13-14H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide?
2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide has a molecular weight of 436.90 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 55343011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).