(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide

C13H17F3N2O — CID 103794824

IUPAC(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C13H17F3N2O/c1-3-4-10(17)12(19)18-11-7-9(13(14,15)16)6-5-8(11)2/h5-7,10H,3-4,17H2,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyUZIFBVLJUZAJST-SNVBAGLBSA-N
MW274.29 g/mol
LogP3.08
Rot. Bonds4

About (2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide

(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide (PubChem CID 103794824) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
PubChem CID103794824
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C13H17F3N2O/c1-3-4-10(17)12(19)18-11-7-9(13(14,15)16)6-5-8(11)2/h5-7,10H,3-4,17H2,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyUZIFBVLJUZAJST-SNVBAGLBSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S)-2-aminopentanoyl]amino]-4-(trifluoromethyl)benzoic acid
CID 103871095
2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide
CID 119832122
(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 66475643
(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide
CID 107143843
(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 103795500
(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 107568455
1-butyl-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 115670789
methyl 3-(2-aminopentanoylamino)-4-methylbenzoate;hydrochloride
CID 119265257
(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
CID 103830807
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
CID 107569318
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide
CID 43650065
2-amino-N-(5-bromo-2-methylphenyl)hexanamide
CID 60854245

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide (CID 103794824) is (2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide is CCC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of (2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is UZIFBVLJUZAJST-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-3-4-10(17)12(19)18-11-7-9(13(14,15)16)6-5-8(11)2/h5-7,10H,3-4,17H2,1-2H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide?
(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 274.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 103794824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).