2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide

C15H11BrF4N2O — CID 7922871

IUPAC2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
SMILESO=C(CNc1ccc(Br)c(C(F)(F)F)c1)Nc1ccccc1F
InChIInChI=1S/C15H11BrF4N2O/c16-11-6-5-9(7-10(11)15(18,19)20)21-8-14(23)22-13-4-2-1-3-12(13)17/h1-7,21H,8H2,(H,22,23)
InChIKeyQYIKANBZARHPDC-UHFFFAOYSA-N
MW391.16 g/mol
LogP4.66
Rot. Bonds4

About 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide

2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide (PubChem CID 7922871) has the molecular formula C15H11BrF4N2O and a molecular weight of 391.16 g/mol. Its IUPAC name is 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
PubChem CID7922871
Molecular FormulaC15H11BrF4N2O
Molecular Weight391.16 g/mol
Exact Mass390.00
IUPAC Name2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
SMILESO=C(CNc1ccc(Br)c(C(F)(F)F)c1)Nc1ccccc1F
InChIInChI=1S/C15H11BrF4N2O/c16-11-6-5-9(7-10(11)15(18,19)20)21-8-14(23)22-13-4-2-1-3-12(13)17/h1-7,21H,8H2,(H,22,23)
InChIKeyQYIKANBZARHPDC-UHFFFAOYSA-N
XLogP4.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.16
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-bromo-3-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
CID 9104278
2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7492494
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 109008379
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
CID 7922867
N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580967
N-(2-acetylphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580969
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 86913452
2-(3-cyano-4-fluoroanilino)-N-(2-fluorophenyl)acetamide
CID 62317346
2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 28584361
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957929
methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 37230186
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 2532266

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide (CID 7922871) is 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide is O=C(CNc1ccc(Br)c(C(F)(F)F)c1)Nc1ccccc1F.
What is the InChIKey of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide?
The InChIKey is QYIKANBZARHPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF4N2O/c16-11-6-5-9(7-10(11)15(18,19)20)21-8-14(23)22-13-4-2-1-3-12(13)17/h1-7,21H,8H2,(H,22,23).
What are the key properties of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide?
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide has a molecular weight of 391.16 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 7922871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).