2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide

C18H14ClN3O — CID 2819595

IUPAC2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
SMILESCc1nccc(-c2cccc(NC(=O)c3ccccc3Cl)c2)n1
InChIInChI=1S/C18H14ClN3O/c1-12-20-10-9-17(21-12)13-5-4-6-14(11-13)22-18(23)15-7-2-3-8-16(15)19/h2-11H,1H3,(H,22,23)
InChIKeyDNUZUCXKTAOEPN-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.36
Rot. Bonds3

About 2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide

2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide (PubChem CID 2819595) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
PubChem CID2819595
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
SMILESCc1nccc(-c2cccc(NC(=O)c3ccccc3Cl)c2)n1
InChIInChI=1S/C18H14ClN3O/c1-12-20-10-9-17(21-12)13-5-4-6-14(11-13)22-18(23)15-7-2-3-8-16(15)19/h2-11H,1H3,(H,22,23)
InChIKeyDNUZUCXKTAOEPN-UHFFFAOYSA-N
XLogP4.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]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-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide (CID 2819595) is 2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide is Cc1nccc(-c2cccc(NC(=O)c3ccccc3Cl)c2)n1.
What is the InChIKey of 2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide?
The InChIKey is DNUZUCXKTAOEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c1-12-20-10-9-17(21-12)13-5-4-6-14(11-13)22-18(23)15-7-2-3-8-16(15)19/h2-11H,1H3,(H,22,23).
What are the key properties of 2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide?
2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide has a molecular weight of 323.78 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide is sourced from PubChem (CID 2819595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).