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

C13H16BrF3N2O2 — CID 107336414

IUPAC5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide
SMILESCC(N)CCCC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C13H16BrF3N2O2/c1-8(18)3-2-4-12(20)19-9-5-6-11(10(14)7-9)21-13(15,16)17/h5-8H,2-4,18H2,1H3,(H,19,20)
InChIKeyYCUYPZXLIRMCFV-UHFFFAOYSA-N
MW369.18 g/mol
LogP3.80
Rot. Bonds6

About 5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide

5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide (PubChem CID 107336414) has the molecular formula C13H16BrF3N2O2 and a molecular weight of 369.18 g/mol. Its IUPAC name is 5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide
PubChem CID107336414
Molecular FormulaC13H16BrF3N2O2
Molecular Weight369.18 g/mol
Exact Mass368.03
IUPAC Name5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide
SMILESCC(N)CCCC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C13H16BrF3N2O2/c1-8(18)3-2-4-12(20)19-9-5-6-11(10(14)7-9)21-13(15,16)17/h5-8H,2-4,18H2,1H3,(H,19,20)
InChIKeyYCUYPZXLIRMCFV-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide 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

4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide
CID 107336495
5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 82848288
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
CID 107336437
[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid
CID 23139549
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-methylprop-2-enamide
CID 175097026
3-bromo-N-(4-methylpentyl)-4-(trifluoromethoxy)aniline
CID 107336186
4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide
CID 82849341
2-amino-3-[3-bromo-4-(trifluoromethoxy)anilino]propanamide
CID 107336597

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide?
The IUPAC name of 5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide (CID 107336414) is 5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide.
What is the SMILES notation for 5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide?
The canonical SMILES for 5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide is CC(N)CCCC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide?
The InChIKey is YCUYPZXLIRMCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2O2/c1-8(18)3-2-4-12(20)19-9-5-6-11(10(14)7-9)21-13(15,16)17/h5-8H,2-4,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide?
5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide has a molecular weight of 369.18 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide is sourced from PubChem (CID 107336414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).