3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate

C17H15ClNO3- — CID 22306821

IUPAC3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate
SMILESCCc1c(NC(=O)Cc2ccc(Cl)cc2)cccc1C(=O)[O-]
InChIInChI=1S/C17H16ClNO3/c1-2-13-14(17(21)22)4-3-5-15(13)19-16(20)10-11-6-8-12(18)9-7-11/h3-9H,2,10H2,1H3,(H,19,20)(H,21,22)/p-1
InChIKeyWOXBVUSKNXYHMC-UHFFFAOYSA-M
MW316.76 g/mol
LogP2.45
Rot. Bonds5

About 3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate

3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate (PubChem CID 22306821) has the molecular formula C17H15ClNO3- and a molecular weight of 316.76 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate
PubChem CID22306821
Molecular FormulaC17H15ClNO3-
Molecular Weight316.76 g/mol
Exact Mass316.07
IUPAC Name3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate
SMILESCCc1c(NC(=O)Cc2ccc(Cl)cc2)cccc1C(=O)[O-]
InChIInChI=1S/C17H16ClNO3/c1-2-13-14(17(21)22)4-3-5-15(13)19-16(20)10-11-6-8-12(18)9-7-11/h3-9H,2,10H2,1H3,(H,19,20)(H,21,22)/p-1
InChIKeyWOXBVUSKNXYHMC-UHFFFAOYSA-M
XLogP2.45
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate?
The IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate (CID 22306821) is 3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate?
The canonical SMILES for 3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate is CCc1c(NC(=O)Cc2ccc(Cl)cc2)cccc1C(=O)[O-].
What is the InChIKey of 3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate?
The InChIKey is WOXBVUSKNXYHMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16ClNO3/c1-2-13-14(17(21)22)4-3-5-15(13)19-16(20)10-11-6-8-12(18)9-7-11/h3-9H,2,10H2,1H3,(H,19,20)(H,21,22)/p-1.
What are the key properties of 3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate?
3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate has a molecular weight of 316.76 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate is sourced from PubChem (CID 22306821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).