2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide

C21H18ClN3O3 — CID 2992119

IUPAC2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C21H18ClN3O3/c22-16-7-9-17(10-8-16)28-14-20(26)25-19-6-2-1-5-18(19)21(27)24-13-15-4-3-11-23-12-15/h1-12H,13-14H2,(H,24,27)(H,25,26)
InChIKeyMXQDESHVUOVTPM-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.68
Rot. Bonds7

About 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide

2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 2992119) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID2992119
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C21H18ClN3O3/c22-16-7-9-17(10-8-16)28-14-20(26)25-19-6-2-1-5-18(19)21(27)24-13-15-4-3-11-23-12-15/h1-12H,13-14H2,(H,24,27)(H,25,26)
InChIKeyMXQDESHVUOVTPM-UHFFFAOYSA-N
XLogP3.68
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide 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-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide (CID 2992119) is 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide is O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is MXQDESHVUOVTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c22-16-7-9-17(10-8-16)28-14-20(26)25-19-6-2-1-5-18(19)21(27)24-13-15-4-3-11-23-12-15/h1-12H,13-14H2,(H,24,27)(H,25,26).
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 395.85 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 2992119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).