2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide

C12H15F3N2O — CID 24697513

IUPAC2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide
SMILESCC(C)CC(N)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H15F3N2O/c1-6(2)5-8(16)12(18)17-9-4-3-7(13)10(14)11(9)15/h3-4,6,8H,5,16H2,1-2H3,(H,17,18)
InChIKeyACGWTEFQBPBLNB-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.42
Rot. Bonds4

About 2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide

2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide (PubChem CID 24697513) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide
PubChem CID24697513
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide
SMILESCC(C)CC(N)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H15F3N2O/c1-6(2)5-8(16)12(18)17-9-4-3-7(13)10(14)11(9)15/h3-4,6,8H,5,16H2,1-2H3,(H,17,18)
InChIKeyACGWTEFQBPBLNB-UHFFFAOYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide
CID 104902798
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzoic acid
CID 61180473
(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 104903780
(2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide
CID 107641670
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
(2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 115564487
[(1S)-3-methyl-1-phenylbutyl]-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 8645928
(2S)-N-(3-acetamido-2-methylphenyl)-2-amino-4-methylpentanamide
CID 119704819
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide
CID 103808541
2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride
CID 119268558
1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea
CID 47173418
2-amino-N-(2-cyano-3-fluorophenyl)-4-methylpentanamide
CID 43580760

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide?
The IUPAC name of 2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide (CID 24697513) is 2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide is CC(C)CC(N)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide?
The InChIKey is ACGWTEFQBPBLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-6(2)5-8(16)12(18)17-9-4-3-7(13)10(14)11(9)15/h3-4,6,8H,5,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide?
2-amino-4-methyl-N-(2,3,4-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 2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide is sourced from PubChem (CID 24697513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).