N-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C11H8BrF6NO — CID 103309963

IUPACN-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(NCc1ccccc1Br)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8BrF6NO/c12-7-4-2-1-3-6(7)5-19-9(20)8(10(13,14)15)11(16,17)18/h1-4,8H,5H2,(H,19,20)
InChIKeyKTGCZBJKRHLILN-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.81
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103309963) has the molecular formula C11H8BrF6NO and a molecular weight of 364.08 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103309963
Molecular FormulaC11H8BrF6NO
Molecular Weight364.08 g/mol
Exact Mass362.97
IUPAC NameN-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(NCc1ccccc1Br)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8BrF6NO/c12-7-4-2-1-3-6(7)5-19-9(20)8(10(13,14)15)11(16,17)18/h1-4,8H,5H2,(H,19,20)
InChIKeyKTGCZBJKRHLILN-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[(2-bromophenyl)methyl]-3-methyl-2-sulfanylbutanamide
CID 107024172
N-[(2-bromophenyl)methyl]-2-hydroxyacetamide
CID 115139901
N-[(2-bromophenyl)methyl]-2-oxopropanamide
CID 110478310
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide
CID 113308938
N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440
(2S)-2-amino-N-[(2-bromophenyl)methyl]-4-phenylbutanamide
CID 104984212
N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583720
2-amino-N-[(2-bromophenyl)methyl]hexanamide
CID 61402483
3-amino-N-[(2-bromophenyl)methyl]butanamide
CID 61402410
N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide
CID 112727459
N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609214

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103309963) is N-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is O=C(NCc1ccccc1Br)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is KTGCZBJKRHLILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF6NO/c12-7-4-2-1-3-6(7)5-19-9(20)8(10(13,14)15)11(16,17)18/h1-4,8H,5H2,(H,19,20).
What are the key properties of N-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 364.08 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).