N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide

C14H9F3N4O — CID 29406369

IUPACN-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)9-2-4-10(5-3-9)18-13(22)8-1-6-11-12(7-8)20-21-19-11/h1-7H,(H,18,22)(H,19,20,21)
InChIKeyZNPRKEVQYPOVKV-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.23
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide

N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide (PubChem CID 29406369) has the molecular formula C14H9F3N4O and a molecular weight of 306.25 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide
PubChem CID29406369
Molecular FormulaC14H9F3N4O
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC NameN-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)9-2-4-10(5-3-9)18-13(22)8-1-6-11-12(7-8)20-21-19-11/h1-7H,(H,18,22)(H,19,20,21)
InChIKeyZNPRKEVQYPOVKV-UHFFFAOYSA-N
XLogP3.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide
CID 17468094
N-(3,4-difluorophenyl)-2H-benzotriazole-5-carboxamide
CID 110468853
N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide
CID 27162728
N-[4-(diethylamino)phenyl]-2H-benzotriazole-5-carboxamide
CID 17460824
N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide
CID 17477354
[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 37092246
3-[4-(2H-benzotriazole-5-carbonylamino)phenyl]prop-2-enoic acid
CID 66965268
4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 4880235
N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide
CID 36542028
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-quinolin-6-yl-2H-benzotriazole-5-carboxamide
CID 60555981
N-(1H-indazol-6-yl)-2H-benzotriazole-5-carboxamide
CID 36561248

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide (CID 29406369) is N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is ZNPRKEVQYPOVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O/c15-14(16,17)9-2-4-10(5-3-9)18-13(22)8-1-6-11-12(7-8)20-21-19-11/h1-7H,(H,18,22)(H,19,20,21).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide?
N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 306.25 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 29406369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).