[2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate

C17H14ClNO4 — CID 2066331

IUPAC[2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccccc1Cl
InChIInChI=1S/C17H14ClNO4/c1-11(20)19-15-9-5-3-7-13(15)17(22)23-10-16(21)12-6-2-4-8-14(12)18/h2-9H,10H2,1H3,(H,19,20)
InChIKeyPMUMZPVBMDHUTQ-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.34
Rot. Bonds5

About [2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate

[2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate (PubChem CID 2066331) has the molecular formula C17H14ClNO4 and a molecular weight of 331.76 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate
PubChem CID2066331
Molecular FormulaC17H14ClNO4
Molecular Weight331.76 g/mol
Exact Mass331.06
IUPAC Name[2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccccc1Cl
InChIInChI=1S/C17H14ClNO4/c1-11(20)19-15-9-5-3-7-13(15)17(22)23-10-16(21)12-6-2-4-8-14(12)18/h2-9H,10H2,1H3,(H,19,20)
InChIKeyPMUMZPVBMDHUTQ-UHFFFAOYSA-N
XLogP3.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate
CID 955166
ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110428348
ethyl 2-[(2-chlorobenzenecarbothioyl)amino]benzoate
CID 170842399
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
methyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110424083
(2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate
CID 1218310
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(2-methylpropanoylamino)benzoate
CID 3976031
2-phenylethyl 2-acetamidobenzoate
CID 150228635
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]benzoate
CID 23770659
(2-chlorophenyl)methyl 2-(methylamino)benzoate
CID 895057
[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate
CID 126187635
2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate
CID 122596329

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate?
The IUPAC name of [2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate (CID 2066331) is [2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate.
What is the SMILES notation for [2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate?
The canonical SMILES for [2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate is CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate?
The InChIKey is PMUMZPVBMDHUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c1-11(20)19-15-9-5-3-7-13(15)17(22)23-10-16(21)12-6-2-4-8-14(12)18/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of [2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate?
[2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate has a molecular weight of 331.76 g/mol, XLogP of 3.34, 5 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] 2-acetamidobenzoate is sourced from PubChem (CID 2066331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).