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

C15H13N5O — CID 855937

IUPACN-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1-n1cnnn1
InChIInChI=1S/C15H13N5O/c1-11-7-8-13(9-14(11)20-10-16-18-19-20)17-15(21)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,21)
InChIKeyWWCYRUGZDZQJTO-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.22
Rot. Bonds3

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

N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 855937) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID855937
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1-n1cnnn1
InChIInChI=1S/C15H13N5O/c1-11-7-8-13(9-14(11)20-10-16-18-19-20)17-15(21)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,21)
InChIKeyWWCYRUGZDZQJTO-UHFFFAOYSA-N
XLogP2.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1H-tetrazol-1-yl)phenyl]ethanone
CID 716433
N-(4-bromophenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 862152
N-cyclohexyl-4-(tetrazol-1-yl)benzamide
CID 920441
N-phenyl-4-(tetrazol-1-yl)benzamide
CID 779646
N-(4-bromophenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 856148
N-(4-acetylphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 864758
N-(phenylcarbonylamino)(3-(1,2,3,4-tetraazolyl)phenyl)carboxamide
CID 866071
3-chloro-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7693798
4-tert-butyl-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7708843
N-(3-chloro-4-methylphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 9405625
5-ethyl-4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 9508973
N-(4-fluorophenyl)-4-(1H-tetrazol-1-ylmethyl)benzamide
CID 712035

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide (CID 855937) is N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2)cc1-n1cnnn1.
What is the InChIKey of N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is WWCYRUGZDZQJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-11-7-8-13(9-14(11)20-10-16-18-19-20)17-15(21)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,21).
What are the key properties of N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 279.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 855937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).