N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide

C22H18N4O — CID 13162137

IUPACN-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide
SMILESCc1c(-c2ccccc2)nnn1-c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18N4O/c1-16-21(17-8-4-2-5-9-17)24-25-26(16)20-14-12-19(13-15-20)23-22(27)18-10-6-3-7-11-18/h2-15H,1H3,(H,23,27)
InChIKeyIHVGAENOBAFAIC-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.50
Rot. Bonds4

About N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide

N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide (PubChem CID 13162137) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide
PubChem CID13162137
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide
SMILESCc1c(-c2ccccc2)nnn1-c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18N4O/c1-16-21(17-8-4-2-5-9-17)24-25-26(16)20-14-12-19(13-15-20)23-22(27)18-10-6-3-7-11-18/h2-15H,1H3,(H,23,27)
InChIKeyIHVGAENOBAFAIC-UHFFFAOYSA-N
XLogP4.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide
CID 13162125
5-methyl-1-phenyl-4-(4-phenylphenyl)triazole
CID 140714399
5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole
CID 13162146
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide
CID 86901245
(4-benzamidophenyl)carbamic acid
CID 18543096
5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide
CID 155946723
N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]benzamide
CID 110735677
4-methoxy-N-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-yl]benzamide
CID 20941333
4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide
CID 4862205
N-(4-fluorophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide
CID 16648933
4-chloro-N-[5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 171987800

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide?
The IUPAC name of N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide (CID 13162137) is N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide is Cc1c(-c2ccccc2)nnn1-c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide?
The InChIKey is IHVGAENOBAFAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-16-21(17-8-4-2-5-9-17)24-25-26(16)20-14-12-19(13-15-20)23-22(27)18-10-6-3-7-11-18/h2-15H,1H3,(H,23,27).
What are the key properties of N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide?
N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 13162137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).