[2-(4-chlorophenyl)-2-oxoethyl] 4-benzamidobenzoate

C22H16ClNO4 — CID 1216550

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 4-benzamidobenzoate
SMILESO=C(COC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClNO4/c23-18-10-6-15(7-11-18)20(25)14-28-22(27)17-8-12-19(13-9-17)24-21(26)16-4-2-1-3-5-16/h1-13H,14H2,(H,24,26)
InChIKeyKBRAAZYRIXSSAG-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.63
Rot. Bonds6

About [2-(4-chlorophenyl)-2-oxoethyl] 4-benzamidobenzoate

[2-(4-chlorophenyl)-2-oxoethyl] 4-benzamidobenzoate (PubChem CID 1216550) has the molecular formula C22H16ClNO4 and a molecular weight of 393.83 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 4-benzamidobenzoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 4-benzamidobenzoate
PubChem CID1216550
Molecular FormulaC22H16ClNO4
Molecular Weight393.83 g/mol
Exact Mass393.08
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 4-benzamidobenzoate
SMILESO=C(COC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClNO4/c23-18-10-6-15(7-11-18)20(25)14-28-22(27)17-8-12-19(13-9-17)24-21(26)16-4-2-1-3-5-16/h1-13H,14H2,(H,24,26)
InChIKeyKBRAAZYRIXSSAG-UHFFFAOYSA-N
XLogP4.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(benzoylamino)benzoate
CID 12914
4-Chloro-N-(3-oxo-1,3-dihydro-isobenzofuran-5-yl)-benzamide
CID 738090
Sodium 4-(4-chlorobenzoylamino)benzoate
CID 91864525
[2-(4-Chlorophenyl)-2-oxoethyl] 4-[(3-phenylmethoxybenzoyl)amino]benzoate
CID 71451488
2-(2-Chlorophenyl)-2-oxoethyl 3-(acetylamino)benzoate
CID 902717
2-Phenylethyl 4-acetamidobenzoate
CID 2449194
(2-Chloro-4-fluorophenyl)methyl 4-acetamidobenzoate
CID 2552655
2-(4-Chlorophenyl)-2-oxoethyl 3-[(4-bromobenzoyl)amino]benzoate
CID 1216563
2-(4-Methylphenyl)-2-oxoethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 1216566
Isopropyl 4-(benzoylamino)benzoate
CID 902558
[(3-Chloro-4-methylphenyl)carbamoyl](phenyl)methyl 4-(carbamoylamino)benzoate
CID 3977521
4-chloro-N-(4-(morpholin-2-yl)phenyl)benzamide
CID 67239284

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 4-benzamidobenzoate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 4-benzamidobenzoate (CID 1216550) is [2-(4-chlorophenyl)-2-oxoethyl] 4-benzamidobenzoate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 4-benzamidobenzoate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 4-benzamidobenzoate is O=C(COC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 4-benzamidobenzoate?
The InChIKey is KBRAAZYRIXSSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO4/c23-18-10-6-15(7-11-18)20(25)14-28-22(27)17-8-12-19(13-9-17)24-21(26)16-4-2-1-3-5-16/h1-13H,14H2,(H,24,26).
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 4-benzamidobenzoate?
[2-(4-chlorophenyl)-2-oxoethyl] 4-benzamidobenzoate has a molecular weight of 393.83 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 4-benzamidobenzoate is sourced from PubChem (CID 1216550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).