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

C23H18ClNO4 — CID 126188615

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C23H18ClNO4/c1-15-5-7-17(8-6-15)22(27)25-20-4-2-3-18(13-20)23(28)29-14-21(26)16-9-11-19(24)12-10-16/h2-13H,14H2,1H3,(H,25,27)
InChIKeyKWVXGUGYWXSSID-UHFFFAOYSA-N
MW407.85 g/mol
LogP4.94
Rot. Bonds6

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

[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate (PubChem CID 126188615) has the molecular formula C23H18ClNO4 and a molecular weight of 407.85 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate
PubChem CID126188615
Molecular FormulaC23H18ClNO4
Molecular Weight407.85 g/mol
Exact Mass407.09
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C23H18ClNO4/c1-15-5-7-17(8-6-15)22(27)25-20-4-2-3-18(13-20)23(28)29-14-21(26)16-9-11-19(24)12-10-16/h2-13H,14H2,1H3,(H,25,27)
InChIKeyKWVXGUGYWXSSID-UHFFFAOYSA-N
XLogP4.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate
CID 1217731
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate
CID 1279664
[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-aminobenzoyl)amino]benzoate
CID 71462210
[2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate
CID 16645357
[2-(4-nitrophenyl)-2-oxoethyl] 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 1106704
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
ethyl 3-[(4-propan-2-ylbenzoyl)amino]benzoate
CID 1406449
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
[2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7569925
[2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 7628104
ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
CID 26688111

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate (CID 126188615) is [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate is Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate?
The InChIKey is KWVXGUGYWXSSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO4/c1-15-5-7-17(8-6-15)22(27)25-20-4-2-3-18(13-20)23(28)29-14-21(26)16-9-11-19(24)12-10-16/h2-13H,14H2,1H3,(H,25,27).
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate?
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate has a molecular weight of 407.85 g/mol, XLogP of 4.94, 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] 3-[(4-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 126188615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).