5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide

C12H15F3N2O — CID 104685005

IUPAC5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide
SMILESCC(CCCN)C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C12H15F3N2O/c1-7(3-2-4-16)12(18)17-11-6-9(14)8(13)5-10(11)15/h5-7H,2-4,16H2,1H3,(H,17,18)
InChIKeyCIUNLBKWXMVLIY-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.42
Rot. Bonds5

About 5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide

5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide (PubChem CID 104685005) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide
PubChem CID104685005
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide
SMILESCC(CCCN)C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C12H15F3N2O/c1-7(3-2-4-16)12(18)17-11-6-9(14)8(13)5-10(11)15/h5-7H,2-4,16H2,1H3,(H,17,18)
InChIKeyCIUNLBKWXMVLIY-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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_1', 'substructure': 'N/A'}

Analyze 5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
CID 62815213
5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide
CID 104685438
5-amino-N-(2-bromo-4-fluorophenyl)-2-methylpentanamide
CID 104683578
5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide
CID 114254673
2-[(5-amino-2-methylpentanoyl)amino]-5-fluorobenzoic acid
CID 112547816
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267
2-(aminomethyl)-3-methyl-N-(2,4,5-trifluorophenyl)butanamide
CID 62814873
5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide
CID 113440855
5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide
CID 104685172
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065
6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide
CID 65292812
5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide
CID 107365873

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide?
The IUPAC name of 5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide (CID 104685005) is 5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide is CC(CCCN)C(=O)Nc1cc(F)c(F)cc1F.
What is the InChIKey of 5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide?
The InChIKey is CIUNLBKWXMVLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-7(3-2-4-16)12(18)17-11-6-9(14)8(13)5-10(11)15/h5-7H,2-4,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide?
5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide has a molecular weight of 260.26 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide is sourced from PubChem (CID 104685005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).