(4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate

C22H18ClNO3 — CID 2417389

IUPAC(4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClNO3/c23-20-12-6-16(7-13-20)15-27-21(25)14-24-22(26)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,24,26)
InChIKeyXMYYNSCXRSWGEG-UHFFFAOYSA-N
MW379.84 g/mol
LogP4.48
Rot. Bonds6

About (4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate

(4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 2417389) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID2417389
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name(4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClNO3/c23-20-12-6-16(7-13-20)15-27-21(25)14-24-22(26)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,24,26)
InChIKeyXMYYNSCXRSWGEG-UHFFFAOYSA-N
XLogP4.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate 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 (4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of (4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate (CID 2417389) is (4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for (4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is XMYYNSCXRSWGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c23-20-12-6-16(7-13-20)15-27-21(25)14-24-22(26)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,24,26).
What are the key properties of (4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
(4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 379.84 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 2417389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).