[2-(2-chlorophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate

C18H16ClNO4 — CID 887620

IUPAC[2-(2-chlorophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate
SMILESCCC(=O)Nc1cccc(C(=O)OCC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C18H16ClNO4/c1-2-17(22)20-13-7-5-6-12(10-13)18(23)24-11-16(21)14-8-3-4-9-15(14)19/h3-10H,2,11H2,1H3,(H,20,22)
InChIKeyFJVZENHOXYETCJ-UHFFFAOYSA-N
MW345.78 g/mol
LogP3.73
Rot. Bonds6

About [2-(2-chlorophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate

[2-(2-chlorophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate (PubChem CID 887620) has the molecular formula C18H16ClNO4 and a molecular weight of 345.78 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate
PubChem CID887620
Molecular FormulaC18H16ClNO4
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Name[2-(2-chlorophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate
SMILESCCC(=O)Nc1cccc(C(=O)OCC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C18H16ClNO4/c1-2-17(22)20-13-7-5-6-12(10-13)18(23)24-11-16(21)14-8-3-4-9-15(14)19/h3-10H,2,11H2,1H3,(H,20,22)
InChIKeyFJVZENHOXYETCJ-UHFFFAOYSA-N
XLogP3.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

UC-38
CID 3000477
1-Methyl ethyl 1-chloro-5-(((5,6dihydro-2-methyl-1,4-oxathiin-3-YL)carbonyl)amino)benzoate
CID 1385
2-Chloro-N-(1,3-dihydro-3-oxo-5-isobenzofuranyl)benzamide
CID 738094
Methyl 3-[(2-chlorobenzoyl)carbamoylamino]benzoate
CID 2806346
[2-Oxo-2-(4-phenylphenyl)ethyl] 4-(3-chloro-4-methylanilino)-4-oxobutanoate
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Ethyl 3-(3-phenylpropanoylamino)benzoate
CID 670777
2-Oxo-2-phenylethyl 2-hydroxyquinoline-4-carboxylate
CID 684408
2-(2-Chlorophenyl)-2-oxoethyl 3-(acetylamino)benzoate
CID 902717
4-{[4-Chloro-3-(ethoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid
CID 2177557
(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

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate?
The IUPAC name of [2-(2-chlorophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate (CID 887620) is [2-(2-chlorophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate.
What is the SMILES notation for [2-(2-chlorophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate?
The canonical SMILES for [2-(2-chlorophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate is CCC(=O)Nc1cccc(C(=O)OCC(=O)c2ccccc2Cl)c1.
What is the InChIKey of [2-(2-chlorophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate?
The InChIKey is FJVZENHOXYETCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4/c1-2-17(22)20-13-7-5-6-12(10-13)18(23)24-11-16(21)14-8-3-4-9-15(14)19/h3-10H,2,11H2,1H3,(H,20,22).
What are the key properties of [2-(2-chlorophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate?
[2-(2-chlorophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate has a molecular weight of 345.78 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-2-oxoethyl] 3-(propanoylamino)benzoate is sourced from PubChem (CID 887620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).