3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide

C13H16BrF3N2O2 — CID 103193341

IUPAC3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide
SMILESCCCC(N)CC(=O)Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C13H16BrF3N2O2/c1-2-3-9(18)7-12(20)19-10-5-4-8(14)6-11(10)21-13(15,16)17/h4-6,9H,2-3,7,18H2,1H3,(H,19,20)
InChIKeySRSIGGCTRQCOFE-UHFFFAOYSA-N
MW369.18 g/mol
LogP3.80
Rot. Bonds6

About 3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide

3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide (PubChem CID 103193341) has the molecular formula C13H16BrF3N2O2 and a molecular weight of 369.18 g/mol. Its IUPAC name is 3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide.

Molecular Properties

Compound Name3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide
PubChem CID103193341
Molecular FormulaC13H16BrF3N2O2
Molecular Weight369.18 g/mol
Exact Mass368.03
IUPAC Name3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide
SMILESCCCC(N)CC(=O)Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C13H16BrF3N2O2/c1-2-3-9(18)7-12(20)19-10-5-4-8(14)6-11(10)21-13(15,16)17/h4-6,9H,2-3,7,18H2,1H3,(H,19,20)
InChIKeySRSIGGCTRQCOFE-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

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Related Compounds

N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propoxyacetamide
CID 103275037
2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide
CID 103193350
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103193670
2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide
CID 103193041
2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide
CID 103193279
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-(prop-2-ynylamino)acetamide
CID 103193297
2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propylacetamide
CID 103193135
2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide
CID 103193211
3-[4-bromo-2-(trifluoromethoxy)anilino]-2-methylpropanamide
CID 103193128
4-bromo-N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192902
3-[4-bromo-2-(trifluoromethoxy)anilino]-N-methylpropanamide
CID 103193272
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-cyano-3-methylbutanamide
CID 103193410

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide?
The IUPAC name of 3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide (CID 103193341) is 3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide.
What is the SMILES notation for 3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide?
The canonical SMILES for 3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide is CCCC(N)CC(=O)Nc1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide?
The InChIKey is SRSIGGCTRQCOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2O2/c1-2-3-9(18)7-12(20)19-10-5-4-8(14)6-11(10)21-13(15,16)17/h4-6,9H,2-3,7,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide?
3-amino-N-[4-bromo-2-(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 3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide is sourced from PubChem (CID 103193341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).