2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide

C13H16BrF3N2O — CID 116535475

IUPAC2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide
SMILESCC(CCCC(F)(F)F)(Nc1ccccc1Br)C(N)=O
InChIInChI=1S/C13H16BrF3N2O/c1-12(11(18)20,7-4-8-13(15,16)17)19-10-6-3-2-5-9(10)14/h2-3,5-6,19H,4,7-8H2,1H3,(H2,18,20)
InChIKeyHEOANCJXQLRJHE-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.84
Rot. Bonds6

About 2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide

2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide (PubChem CID 116535475) has the molecular formula C13H16BrF3N2O and a molecular weight of 353.18 g/mol. Its IUPAC name is 2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide
PubChem CID116535475
Molecular FormulaC13H16BrF3N2O
Molecular Weight353.18 g/mol
Exact Mass352.04
IUPAC Name2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide
SMILESCC(CCCC(F)(F)F)(Nc1ccccc1Br)C(N)=O
InChIInChI=1S/C13H16BrF3N2O/c1-12(11(18)20,7-4-8-13(15,16)17)19-10-6-3-2-5-9(10)14/h2-3,5-6,19H,4,7-8H2,1H3,(H2,18,20)
InChIKeyHEOANCJXQLRJHE-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoanilino)-2-methylbutanamide
CID 61006238
2-(2-bromoanilino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831900
6,6,6-trifluoro-2-(3-fluoro-5-methylanilino)-2-methylhexanamide
CID 116535507
2-(2-bromoanilino)-2-methylbutanoic acid
CID 60994535
6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanamide
CID 116535472
ethyl 2-(2-bromoanilino)-2-methylhex-5-enoate
CID 104656019
2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 113327785
methyl 6,6,6-trifluoro-2-methyl-2-(3-methylanilino)hexanoate
CID 116535546
3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
CID 28942474
2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide
CID 114884778
methyl 2-(2-fluoroanilino)-2-methylheptanoate
CID 80557964
methyl 6,6,6-trifluoro-2-methyl-2-(4-methylanilino)hexanoate
CID 116535531

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide?
The IUPAC name of 2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide (CID 116535475) is 2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide.
What is the SMILES notation for 2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide?
The canonical SMILES for 2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide is CC(CCCC(F)(F)F)(Nc1ccccc1Br)C(N)=O.
What is the InChIKey of 2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide?
The InChIKey is HEOANCJXQLRJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2O/c1-12(11(18)20,7-4-8-13(15,16)17)19-10-6-3-2-5-9(10)14/h2-3,5-6,19H,4,7-8H2,1H3,(H2,18,20).
What are the key properties of 2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide?
2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide has a molecular weight of 353.18 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-6,6,6-trifluoro-2-methylhexanamide is sourced from PubChem (CID 116535475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).