N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide

C15H14N4O — CID 17477354

IUPACN-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc3n[nH]nc3c2)c1
InChIInChI=1S/C15H14N4O/c1-9-5-10(2)7-12(6-9)16-15(20)11-3-4-13-14(8-11)18-19-17-13/h3-8H,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyHYBBMHISUOYCPS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.83
Rot. Bonds2

About N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide

N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide (PubChem CID 17477354) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide
PubChem CID17477354
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc3n[nH]nc3c2)c1
InChIInChI=1S/C15H14N4O/c1-9-5-10(2)7-12(6-9)16-15(20)11-3-4-13-14(8-11)18-19-17-13/h3-8H,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyHYBBMHISUOYCPS-UHFFFAOYSA-N
XLogP2.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide
CID 27162728
N-[4-(diethylamino)phenyl]-2H-benzotriazole-5-carboxamide
CID 17460824
N-(3,4-difluorophenyl)-2H-benzotriazole-5-carboxamide
CID 110468853
N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 167951994
N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 29406369
N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 56783123
N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide
CID 36542028
3-[4-(2H-benzotriazole-5-carbonylamino)phenyl]prop-2-enoic acid
CID 66965268
N-quinolin-6-yl-2H-benzotriazole-5-carboxamide
CID 60555981
N-ethoxy-2H-benzotriazole-5-carboxamide
CID 47143794
N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 115692336
N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469182

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide (CID 17477354) is N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc3n[nH]nc3c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide?
The InChIKey is HYBBMHISUOYCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-5-10(2)7-12(6-9)16-15(20)11-3-4-13-14(8-11)18-19-17-13/h3-8H,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide?
N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 17477354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).