2-chloro-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide

C15H12ClN5O — CID 855980

IUPAC2-chloro-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2Cl)cc1-n1cnnn1
InChIInChI=1S/C15H12ClN5O/c1-10-6-7-11(8-14(10)21-9-17-19-20-21)18-15(22)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,18,22)
InChIKeyXMHORJORIXWFAF-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.88
Rot. Bonds3

About 2-chloro-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide

2-chloro-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 855980) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-chloro-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID855980
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name2-chloro-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2Cl)cc1-n1cnnn1
InChIInChI=1S/C15H12ClN5O/c1-10-6-7-11(8-14(10)21-9-17-19-20-21)18-15(22)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,18,22)
InChIKeyXMHORJORIXWFAF-UHFFFAOYSA-N
XLogP2.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[4-methyl-3-(tetrazol-1-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-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide (CID 855980) is 2-chloro-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2Cl)cc1-n1cnnn1.
What is the InChIKey of 2-chloro-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is XMHORJORIXWFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c1-10-6-7-11(8-14(10)21-9-17-19-20-21)18-15(22)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,18,22).
What are the key properties of 2-chloro-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
2-chloro-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 313.75 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 855980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).