2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide

C13H16BrF3N2O — CID 65490224

IUPAC2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C13H16BrF3N2O/c1-3-7(2)11(18)12(20)19-10-5-8(13(15,16)17)4-9(14)6-10/h4-7,11H,3,18H2,1-2H3,(H,19,20)
InChIKeyOHGRHWYKNISJKK-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.78
Rot. Bonds4

About 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide

2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide (PubChem CID 65490224) has the molecular formula C13H16BrF3N2O and a molecular weight of 353.18 g/mol. Its IUPAC name is 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide
PubChem CID65490224
Molecular FormulaC13H16BrF3N2O
Molecular Weight353.18 g/mol
Exact Mass352.04
IUPAC Name2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C13H16BrF3N2O/c1-3-7(2)11(18)12(20)19-10-5-8(13(15,16)17)4-9(14)6-10/h4-7,11H,3,18H2,1-2H3,(H,19,20)
InChIKeyOHGRHWYKNISJKK-UHFFFAOYSA-N
XLogP3.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide 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

2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide
CID 65490818
(2S)-2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 65491406
2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 24706834
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-carbamothioylbutanamide
CID 65492016
3-[3-bromo-5-(trifluoromethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898660
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
N-[3,5-bis(trifluoromethyl)phenyl]-2-methylbutanamide
CID 58825547
(2S)-2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119281005
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535
(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 66475643
N-[3-[(2-amino-3-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 119775992

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide (CID 65490224) is 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide?
The InChIKey is OHGRHWYKNISJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2O/c1-3-7(2)11(18)12(20)19-10-5-8(13(15,16)17)4-9(14)6-10/h4-7,11H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide?
2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide has a molecular weight of 353.18 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide is sourced from PubChem (CID 65490224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).