N-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide

C17H16N4O — CID 51112398

IUPACN-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide
SMILESO=C(NC1(c2ccccc2)CCC1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H16N4O/c22-16(12-7-8-14-15(11-12)20-21-19-14)18-17(9-4-10-17)13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10H2,(H,18,22)(H,19,20,21)
InChIKeyLQIQPAIBIFTLPW-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.77
Rot. Bonds3

About N-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide

N-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide (PubChem CID 51112398) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide
PubChem CID51112398
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide
SMILESO=C(NC1(c2ccccc2)CCC1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H16N4O/c22-16(12-7-8-14-15(11-12)20-21-19-14)18-17(9-4-10-17)13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10H2,(H,18,22)(H,19,20,21)
InChIKeyLQIQPAIBIFTLPW-UHFFFAOYSA-N
XLogP2.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-2H-benzotriazole-5-carboxamide
CID 115878496
1-[(2H-benzotriazole-5-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362421
3-methoxy-N-(1-phenylcyclobutyl)benzamide
CID 51273020
3,4-dichloro-N-(1-phenylcyclopropyl)benzamide
CID 110444165
N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 71885526
N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]benzamide
CID 134056216
4-(methoxymethyl)-N-(1-phenylcyclobutyl)benzamide
CID 51273147
N-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide
CID 51273111
N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 110466935
4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide
CID 51273167
3,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110444172
4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide
CID 110464061

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide (CID 51112398) is N-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide is O=C(NC1(c2ccccc2)CCC1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide?
The InChIKey is LQIQPAIBIFTLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-16(12-7-8-14-15(11-12)20-21-19-14)18-17(9-4-10-17)13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10H2,(H,18,22)(H,19,20,21).
What are the key properties of N-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide?
N-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 51112398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).