(2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide

C17H15F3N4O2 — CID 7697408

IUPAC(2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide
SMILESCc1cccc(NC(=O)[C@H](C)On2nnc3ccc(C(F)(F)F)cc32)c1
InChIInChI=1S/C17H15F3N4O2/c1-10-4-3-5-13(8-10)21-16(25)11(2)26-24-15-9-12(17(18,19)20)6-7-14(15)22-23-24/h3-9,11H,1-2H3,(H,21,25)/t11-/m0/s1
InChIKeyGIDYJNSAENTSLL-NSHDSACASA-N
MW364.33 g/mol
LogP3.21
Rot. Bonds4

About (2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide

(2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide (PubChem CID 7697408) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is (2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide
PubChem CID7697408
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name(2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide
SMILESCc1cccc(NC(=O)[C@H](C)On2nnc3ccc(C(F)(F)F)cc32)c1
InChIInChI=1S/C17H15F3N4O2/c1-10-4-3-5-13(8-10)21-16(25)11(2)26-24-15-9-12(17(18,19)20)6-7-14(15)22-23-24/h3-9,11H,1-2H3,(H,21,25)/t11-/m0/s1
InChIKeyGIDYJNSAENTSLL-NSHDSACASA-N
XLogP3.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide
CID 9102658
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838412
(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide
CID 2400517
(2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide
CID 7668539
(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943627
(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)propanamide
CID 7697064
2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide
CID 17419510
(2R)-1-(4-benzylpiperazin-1-yl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropan-1-one
CID 25352307
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 3-acetamidobenzoate
CID 2636888
[3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate
CID 4246326
(2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide
CID 41095144
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide?
The IUPAC name of (2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide (CID 7697408) is (2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide.
What is the SMILES notation for (2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide?
The canonical SMILES for (2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide is Cc1cccc(NC(=O)[C@H](C)On2nnc3ccc(C(F)(F)F)cc32)c1.
What is the InChIKey of (2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide?
The InChIKey is GIDYJNSAENTSLL-NSHDSACASA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-10-4-3-5-13(8-10)21-16(25)11(2)26-24-15-9-12(17(18,19)20)6-7-14(15)22-23-24/h3-9,11H,1-2H3,(H,21,25)/t11-/m0/s1.
What are the key properties of (2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide?
(2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide has a molecular weight of 364.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide is sourced from PubChem (CID 7697408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).