N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide

C19H19F3N4O — CID 17334917

IUPACN-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide
SMILESCCCCc1ccc(-n2nc3cc(C)c(NC(=O)C(F)(F)F)cc3n2)cc1
InChIInChI=1S/C19H19F3N4O/c1-3-4-5-13-6-8-14(9-7-13)26-24-16-10-12(2)15(11-17(16)25-26)23-18(27)19(20,21)22/h6-11H,3-5H2,1-2H3,(H,23,27)
InChIKeyQBJKCXHVFUNNDB-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.57
Rot. Bonds5

About N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide

N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide (PubChem CID 17334917) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide
PubChem CID17334917
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC NameN-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide
SMILESCCCCc1ccc(-n2nc3cc(C)c(NC(=O)C(F)(F)F)cc3n2)cc1
InChIInChI=1S/C19H19F3N4O/c1-3-4-5-13-6-8-14(9-7-13)26-24-16-10-12(2)15(11-17(16)25-26)23-18(27)19(20,21)22/h6-11H,3-5H2,1-2H3,(H,23,27)
InChIKeyQBJKCXHVFUNNDB-UHFFFAOYSA-N
XLogP4.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide
CID 2067619
2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 3641417
(E)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17318968
N-[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308447
N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide
CID 17335646
(E)-N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
CID 21171010
2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide
CID 88881817
N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]-3-fluorobenzamide
CID 3285165
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
CID 806738
N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-methylbenzamide
CID 22779110
4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 15987529
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-2-methylbenzamide
CID 2957047

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide (CID 17334917) is N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide is CCCCc1ccc(-n2nc3cc(C)c(NC(=O)C(F)(F)F)cc3n2)cc1.
What is the InChIKey of N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide?
The InChIKey is QBJKCXHVFUNNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-3-4-5-13-6-8-14(9-7-13)26-24-16-10-12(2)15(11-17(16)25-26)23-18(27)19(20,21)22/h6-11H,3-5H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide?
N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide has a molecular weight of 376.38 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 17334917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).