(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide

C12H15F3N2O — CID 104903642

IUPAC(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3N2O/c1-6(2)3-10(16)12(18)17-11-8(14)4-7(13)5-9(11)15/h4-6,10H,3,16H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyPMWFKLQOBMPBQH-SNVBAGLBSA-N
MW260.26 g/mol
LogP2.42
Rot. Bonds4

About (2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide

(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide (PubChem CID 104903642) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide
PubChem CID104903642
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3N2O/c1-6(2)3-10(16)12(18)17-11-8(14)4-7(13)5-9(11)15/h4-6,10H,3,16H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyPMWFKLQOBMPBQH-SNVBAGLBSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide
CID 83079399
(2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide
CID 107641670
(2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 115564487
(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
(2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide
CID 107145817
2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83088281
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83087285
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
CID 28991563
(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
CID 104903415
2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide
CID 24697513
(2S)-2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylpentanamide
CID 107335024
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide
CID 103808541

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide (CID 104903642) is (2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide is CC(C)C[C@@H](N)C(=O)Nc1c(F)cc(F)cc1F.
What is the InChIKey of (2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide?
The InChIKey is PMWFKLQOBMPBQH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-6(2)3-10(16)12(18)17-11-8(14)4-7(13)5-9(11)15/h4-6,10H,3,16H2,1-2H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide?
(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide has a molecular weight of 260.26 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide is sourced from PubChem (CID 104903642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).