[2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate

C19H17NO4 — CID 7489555

IUPAC[2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H17NO4/c21-17(12-24-19(23)15-6-7-15)13-8-10-16(11-9-13)20-18(22)14-4-2-1-3-5-14/h1-5,8-11,15H,6-7,12H2,(H,20,22)
InChIKeyCPRKWVWVAXQWIH-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.07
Rot. Bonds6

About [2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate

[2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 7489555) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID7489555
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H17NO4/c21-17(12-24-19(23)15-6-7-15)13-8-10-16(11-9-13)20-18(22)14-4-2-1-3-5-14/h1-5,8-11,15H,6-7,12H2,(H,20,22)
InChIKeyCPRKWVWVAXQWIH-UHFFFAOYSA-N
XLogP3.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-benzamidophenyl)-2-oxoethyl] (1S,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 50985750
[2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 24590694
[2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate
CID 7628553
phenacyl 4-[(4-bromobenzoyl)amino]benzoate
CID 2265866
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55927240
[2-(4-benzamidophenyl)-2-oxoethyl] 4-nitrobenzoate
CID 5209942
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863287
(4-benzamidophenyl) cyclopentanecarboxylate
CID 26191011
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927206
[2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426124
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932317
N-[4-[2-(2-iodophenoxy)acetyl]phenyl]benzamide
CID 38879314

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate (CID 7489555) is [2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is CPRKWVWVAXQWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-17(12-24-19(23)15-6-7-15)13-8-10-16(11-9-13)20-18(22)14-4-2-1-3-5-14/h1-5,8-11,15H,6-7,12H2,(H,20,22).
What are the key properties of [2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate?
[2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 7489555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).