4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide

C13H16BrF3N2O2 — CID 107336495

IUPAC4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide
SMILESCC(C)(N)CCC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C13H16BrF3N2O2/c1-12(2,18)6-5-11(20)19-8-3-4-10(9(14)7-8)21-13(15,16)17/h3-4,7H,5-6,18H2,1-2H3,(H,19,20)
InChIKeyPEZDZVJAWSHJFT-UHFFFAOYSA-N
MW369.18 g/mol
LogP3.80
Rot. Bonds5

About 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide

4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide (PubChem CID 107336495) has the molecular formula C13H16BrF3N2O2 and a molecular weight of 369.18 g/mol. Its IUPAC name is 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide
PubChem CID107336495
Molecular FormulaC13H16BrF3N2O2
Molecular Weight369.18 g/mol
Exact Mass368.03
IUPAC Name4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide
SMILESCC(C)(N)CCC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C13H16BrF3N2O2/c1-12(2,18)6-5-11(20)19-8-3-4-10(9(14)7-8)21-13(15,16)17/h3-4,7H,5-6,18H2,1-2H3,(H,19,20)
InChIKeyPEZDZVJAWSHJFT-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-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

5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide
CID 107336414
N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
CID 107336437
[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid
CID 23139549
N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-methylprop-2-enamide
CID 175097026
3-[[3-bromo-4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 107336642
tert-butyl 2-[3-bromo-4-(trifluoromethoxy)anilino]acetate
CID 107336246
2-[3-bromo-4-(trifluoromethoxy)anilino]-N-propylacetamide
CID 107336196
2-amino-N-(3-bromo-4-methoxyphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79811706
2-amino-3-[3-bromo-4-(trifluoromethoxy)anilino]propanamide
CID 107336597
N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
CID 107336439
2-[3-bromo-4-(trifluoromethoxy)anilino]-N-(cyanomethyl)acetamide
CID 107336169
(E)-4-[3-bromo-4-(trifluoromethoxy)anilino]-4-oxobut-2-enoic acid
CID 107335805

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide?
The IUPAC name of 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide (CID 107336495) is 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide?
The canonical SMILES for 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide is CC(C)(N)CCC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide?
The InChIKey is PEZDZVJAWSHJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2O2/c1-12(2,18)6-5-11(20)19-8-3-4-10(9(14)7-8)21-13(15,16)17/h3-4,7H,5-6,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide?
4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide has a molecular weight of 369.18 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide is sourced from PubChem (CID 107336495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).