(2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide

C17H12F3N5O2 — CID 9102658

IUPAC(2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide
SMILESC[C@@H](On1nnc2ccc(C(F)(F)F)cc21)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H12F3N5O2/c1-10(16(26)22-13-5-2-11(9-21)3-6-13)27-25-15-8-12(17(18,19)20)4-7-14(15)23-24-25/h2-8,10H,1H3,(H,22,26)/t10-/m1/s1
InChIKeyQPHORCSYAFOAOU-SNVBAGLBSA-N
MW375.31 g/mol
LogP2.78
Rot. Bonds4

About (2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide

(2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide (PubChem CID 9102658) has the molecular formula C17H12F3N5O2 and a molecular weight of 375.31 g/mol. Its IUPAC name is (2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide
PubChem CID9102658
Molecular FormulaC17H12F3N5O2
Molecular Weight375.31 g/mol
Exact Mass375.09
IUPAC Name(2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide
SMILESC[C@@H](On1nnc2ccc(C(F)(F)F)cc21)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H12F3N5O2/c1-10(16(26)22-13-5-2-11(9-21)3-6-13)27-25-15-8-12(17(18,19)20)4-7-14(15)23-24-25/h2-8,10H,1H3,(H,22,26)/t10-/m1/s1
InChIKeyQPHORCSYAFOAOU-SNVBAGLBSA-N
XLogP2.78
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(benzotriazol-1-yloxy)-N-(4-cyanophenyl)propanamide
CID 41096096
(2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide
CID 7697408
(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)propanamide
CID 7697064
(2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide
CID 41095144
N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide
CID 86252735
N-(4-cyanophenyl)-2-propan-2-yloxypropanamide
CID 43824380
2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide
CID 17419510
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7717178
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 7838840
(2S)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550497
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-(trifluoromethyl)benzoate
CID 7860111
N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
CID 24511902

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide?
The IUPAC name of (2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide (CID 9102658) is (2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide.
What is the SMILES notation for (2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide?
The canonical SMILES for (2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide is C[C@@H](On1nnc2ccc(C(F)(F)F)cc21)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of (2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide?
The InChIKey is QPHORCSYAFOAOU-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H12F3N5O2/c1-10(16(26)22-13-5-2-11(9-21)3-6-13)27-25-15-8-12(17(18,19)20)4-7-14(15)23-24-25/h2-8,10H,1H3,(H,22,26)/t10-/m1/s1.
What are the key properties of (2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide?
(2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide has a molecular weight of 375.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide is sourced from PubChem (CID 9102658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).