2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide

C18H19ClN2O2 — CID 1250718

IUPAC2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12(2)20-18(23)15-5-3-4-6-16(15)21-17(22)11-13-7-9-14(19)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyROQSEDMPOCMIJJ-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.66
Rot. Bonds5

About 2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide

2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 1250718) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID1250718
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12(2)20-18(23)15-5-3-4-6-16(15)21-17(22)11-13-7-9-14(19)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyROQSEDMPOCMIJJ-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide 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 2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide (CID 1250718) is 2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is ROQSEDMPOCMIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12(2)20-18(23)15-5-3-4-6-16(15)21-17(22)11-13-7-9-14(19)10-8-13/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 330.81 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 1250718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).