2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide

C13H17F3N2O — CID 24706834

IUPAC2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-3-8(2)11(17)12(19)18-10-6-4-5-9(7-10)13(14,15)16/h4-8,11H,3,17H2,1-2H3,(H,18,19)
InChIKeyLDSFKRPWVALFHC-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.02
Rot. Bonds4

About 2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide

2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide (PubChem CID 24706834) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
PubChem CID24706834
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-3-8(2)11(17)12(19)18-10-6-4-5-9(7-10)13(14,15)16/h4-8,11H,3,17H2,1-2H3,(H,18,19)
InChIKeyLDSFKRPWVALFHC-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 119775992
(2S)-2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 22690700
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]benzoic acid
CID 61156933
2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide
CID 65490224
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61179102
2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide
CID 119702060
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406
(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 66475643
2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
CID 54862748
N-[(2S,3S)-3-methyl-1-oxo-1-[3-(trifluoromethyl)anilino]pentan-2-yl]benzamide
CID 9138725

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide (CID 24706834) is 2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide is CCC(C)C(N)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is LDSFKRPWVALFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-3-8(2)11(17)12(19)18-10-6-4-5-9(7-10)13(14,15)16/h4-8,11H,3,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide?
2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 274.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 24706834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).