N-(3-chloro-4-methylphenyl)-3-(tetrazol-1-yl)benzamide

C15H12ClN5O — CID 9405625

IUPACN-(3-chloro-4-methylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1Cl
InChIInChI=1S/C15H12ClN5O/c1-10-5-6-12(8-14(10)16)18-15(22)11-3-2-4-13(7-11)21-9-17-19-20-21/h2-9H,1H3,(H,18,22)
InChIKeyFGAGPDYNHXXDNL-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.88
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-3-(tetrazol-1-yl)benzamide

N-(3-chloro-4-methylphenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 9405625) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID9405625
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1Cl
InChIInChI=1S/C15H12ClN5O/c1-10-5-6-12(8-14(10)16)18-15(22)11-3-2-4-13(7-11)21-9-17-19-20-21/h2-9H,1H3,(H,18,22)
InChIKeyFGAGPDYNHXXDNL-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(tetrazol-1-yl)benzamide (CID 9405625) is N-(3-chloro-4-methylphenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(tetrazol-1-yl)benzamide is Cc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is FGAGPDYNHXXDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c1-10-5-6-12(8-14(10)16)18-15(22)11-3-2-4-13(7-11)21-9-17-19-20-21/h2-9H,1H3,(H,18,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(tetrazol-1-yl)benzamide?
N-(3-chloro-4-methylphenyl)-3-(tetrazol-1-yl)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 N-(3-chloro-4-methylphenyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 9405625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).