2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide

C16H13BrF3NO — CID 138964215

IUPAC2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide
SMILESO=C(Nc1ccccc1)C(Br)(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H13BrF3NO/c17-15(11-16(18,19)20,12-7-3-1-4-8-12)14(22)21-13-9-5-2-6-10-13/h1-10H,11H2,(H,21,22)
InChIKeyANZKPZCBXPFNED-UHFFFAOYSA-N
MW372.18 g/mol
LogP4.87
Rot. Bonds4

About 2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide

2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide (PubChem CID 138964215) has the molecular formula C16H13BrF3NO and a molecular weight of 372.18 g/mol. Its IUPAC name is 2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide.

Molecular Properties

Compound Name2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide
PubChem CID138964215
Molecular FormulaC16H13BrF3NO
Molecular Weight372.18 g/mol
Exact Mass371.01
IUPAC Name2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide
SMILESO=C(Nc1ccccc1)C(Br)(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H13BrF3NO/c17-15(11-16(18,19)20,12-7-3-1-4-8-12)14(22)21-13-9-5-2-6-10-13/h1-10H,11H2,(H,21,22)
InChIKeyANZKPZCBXPFNED-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-bromophenyl)-4,4,4-trifluoro-N,2-diphenylbutanamide
CID 138964155
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
(2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide
CID 164686623
2-fluoro-2-methyl-N-phenylbutanamide
CID 132540278
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
CID 3421010
2-anilino-N,2,2-triphenylacetamide
CID 2168373
2,2-difluoro-2-(4-methylphenyl)-N-phenylacetamide
CID 102584725
2,2-dichloro-N,N'-diphenylpropanediamide
CID 14712481
2-fluoro-2,2-dinitro-N-phenylacetamide
CID 150962851
2,2-dichloro-4-hydroxy-N-phenylbutanamide
CID 23345439
2,2-difluoro-2-naphthalen-2-yl-N-phenylacetamide
CID 102584722
4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid
CID 146082222

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide?
The IUPAC name of 2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide (CID 138964215) is 2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide.
What is the SMILES notation for 2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide?
The canonical SMILES for 2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide is O=C(Nc1ccccc1)C(Br)(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide?
The InChIKey is ANZKPZCBXPFNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3NO/c17-15(11-16(18,19)20,12-7-3-1-4-8-12)14(22)21-13-9-5-2-6-10-13/h1-10H,11H2,(H,21,22).
What are the key properties of 2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide?
2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide has a molecular weight of 372.18 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide is sourced from PubChem (CID 138964215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).