[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-fluorobenzoyl)amino]benzoate

C22H15ClFNO4 — CID 71460503

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-fluorobenzoyl)amino]benzoate
SMILESO=C(COC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClFNO4/c23-17-8-4-14(5-9-17)20(26)13-29-22(28)15-6-10-19(11-7-15)25-21(27)16-2-1-3-18(24)12-16/h1-12H,13H2,(H,25,27)
InChIKeyVFNBGKUSQVNYEG-UHFFFAOYSA-N
MW411.82 g/mol
LogP4.77
Rot. Bonds6

About [2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-fluorobenzoyl)amino]benzoate

[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-fluorobenzoyl)amino]benzoate (PubChem CID 71460503) has the molecular formula C22H15ClFNO4 and a molecular weight of 411.82 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-fluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-fluorobenzoyl)amino]benzoate
PubChem CID71460503
Molecular FormulaC22H15ClFNO4
Molecular Weight411.82 g/mol
Exact Mass411.07
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-fluorobenzoyl)amino]benzoate
SMILESO=C(COC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClFNO4/c23-17-8-4-14(5-9-17)20(26)13-29-22(28)15-6-10-19(11-7-15)25-21(27)16-2-1-3-18(24)12-16/h1-12H,13H2,(H,25,27)
InChIKeyVFNBGKUSQVNYEG-UHFFFAOYSA-N
XLogP4.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-Acetylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2386868
(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
[(3-Chloro-4-methylphenyl)carbamoyl](phenyl)methyl 4-(carbamoylamino)benzoate
CID 3977521
4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide
CID 53251575
Ethyl 4-(3-chlorobenzamido)benzoate
CID 307389
Ethyl 4-((4-chlorobenzoyl)amino)benzoate
CID 180788
2-(2-Chlorophenyl)-2-oxoethyl 3-(propionylamino)benzoate
CID 887620

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-fluorobenzoyl)amino]benzoate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-fluorobenzoyl)amino]benzoate (CID 71460503) is [2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-fluorobenzoyl)amino]benzoate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-fluorobenzoyl)amino]benzoate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-fluorobenzoyl)amino]benzoate is O=C(COC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-fluorobenzoyl)amino]benzoate?
The InChIKey is VFNBGKUSQVNYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNO4/c23-17-8-4-14(5-9-17)20(26)13-29-22(28)15-6-10-19(11-7-15)25-21(27)16-2-1-3-18(24)12-16/h1-12H,13H2,(H,25,27).
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-fluorobenzoyl)amino]benzoate?
[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-fluorobenzoyl)amino]benzoate has a molecular weight of 411.82 g/mol, XLogP of 4.77, 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-[(3-fluorobenzoyl)amino]benzoate is sourced from PubChem (CID 71460503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).