N-(benzotriazol-1-ylmethyl)benzamide

C14H12N4O — CID 726179

IUPACN-(benzotriazol-1-ylmethyl)benzamide
SMILESO=C(NCn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C14H12N4O/c19-14(11-6-2-1-3-7-11)15-10-18-13-9-5-4-8-12(13)16-17-18/h1-9H,10H2,(H,15,19)
InChIKeyCDZWFIDNOCWJDS-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.82
Rot. Bonds3

About N-(benzotriazol-1-ylmethyl)benzamide

N-(benzotriazol-1-ylmethyl)benzamide (PubChem CID 726179) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)benzamide
PubChem CID726179
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-(benzotriazol-1-ylmethyl)benzamide
SMILESO=C(NCn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C14H12N4O/c19-14(11-6-2-1-3-7-11)15-10-18-13-9-5-4-8-12(13)16-17-18/h1-9H,10H2,(H,15,19)
InChIKeyCDZWFIDNOCWJDS-UHFFFAOYSA-N
XLogP1.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzoyl-1H-benzotriazole
CID 570059
2-(1H-1,2,3-Benzotriazol-1-yl)-1-phenylethan-1-one
CID 761839
1H-benzotriazol-1-yl[4-(dimethylamino)phenyl]methanone
CID 694547
N-(4-phenylbutyl)-1H-benzo[d][1,2,3]triazole-1-carboxamide
CID 86663116
1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide
CID 900745
1-Methyl-1H-benzotriazole-5-carboxylic acid (2-fluoro-phenyl)-amide
CID 1088543
2-(Benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone
CID 15959246
acs.jmedchem.1c00409_ST.237
CID 162533712
N-cyclohexyl-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide
CID 900740
1-methyl-N-(4-methylphenyl)-1H-1,2,3-benzotriazole-5-carboxamide
CID 900757
N-[2-(1-cyclohexen-1-yl)ethyl]-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide
CID 977104
3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 71456812

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)benzamide?
The IUPAC name of N-(benzotriazol-1-ylmethyl)benzamide (CID 726179) is N-(benzotriazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)benzamide is O=C(NCn1nnc2ccccc21)c1ccccc1.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)benzamide?
The InChIKey is CDZWFIDNOCWJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c19-14(11-6-2-1-3-7-11)15-10-18-13-9-5-4-8-12(13)16-17-18/h1-9H,10H2,(H,15,19).
What are the key properties of N-(benzotriazol-1-ylmethyl)benzamide?
N-(benzotriazol-1-ylmethyl)benzamide has a molecular weight of 252.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)benzamide is sourced from PubChem (CID 726179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).