[2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate

C23H18ClNO5 — CID 1217731

IUPAC[2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate
SMILESCOc1cccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C23H18ClNO5/c1-29-20-7-3-4-16(13-20)21(26)14-30-23(28)17-5-2-6-19(12-17)25-22(27)15-8-10-18(24)11-9-15/h2-13H,14H2,1H3,(H,25,27)
InChIKeyJTGPKDXFGGDJRP-UHFFFAOYSA-N
MW423.85 g/mol
LogP4.64
Rot. Bonds7

About [2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate

[2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate (PubChem CID 1217731) has the molecular formula C23H18ClNO5 and a molecular weight of 423.85 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate
PubChem CID1217731
Molecular FormulaC23H18ClNO5
Molecular Weight423.85 g/mol
Exact Mass423.09
IUPAC Name[2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate
SMILESCOc1cccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C23H18ClNO5/c1-29-20-7-3-4-16(13-20)21(26)14-30-23(28)17-5-2-6-19(12-17)25-22(27)15-8-10-18(24)11-9-15/h2-13H,14H2,1H3,(H,25,27)
InChIKeyJTGPKDXFGGDJRP-UHFFFAOYSA-N
XLogP4.64
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.85
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate
CID 126188615
(3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate
CID 1305098
butyl 3-[(3-methoxybenzoyl)amino]benzoate
CID 19166278
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate
CID 17396359
[2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate
CID 16645357
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate
CID 1279664
[2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 1217734
[2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4087893
[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-aminobenzoyl)amino]benzoate
CID 71462210
[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
CID 795003
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate?
The IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate (CID 1217731) is [2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate.
What is the SMILES notation for [2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate?
The canonical SMILES for [2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate is COc1cccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate?
The InChIKey is JTGPKDXFGGDJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO5/c1-29-20-7-3-4-16(13-20)21(26)14-30-23(28)17-5-2-6-19(12-17)25-22(27)15-8-10-18(24)11-9-15/h2-13H,14H2,1H3,(H,25,27).
What are the key properties of [2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate?
[2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate has a molecular weight of 423.85 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate is sourced from PubChem (CID 1217731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).