2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid

C15H12BrF2NO2 — CID 82955939

IUPAC2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid
SMILESCC(Nc1ccccc1F)(C(=O)O)c1cc(Br)ccc1F
InChIInChI=1S/C15H12BrF2NO2/c1-15(14(20)21,10-8-9(16)6-7-11(10)17)19-13-5-3-2-4-12(13)18/h2-8,19H,1H3,(H,20,21)
InChIKeyNOJRVYAOXGEHNG-UHFFFAOYSA-N
MW356.17 g/mol
LogP4.14
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid

2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid (PubChem CID 82955939) has the molecular formula C15H12BrF2NO2 and a molecular weight of 356.17 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid
PubChem CID82955939
Molecular FormulaC15H12BrF2NO2
Molecular Weight356.17 g/mol
Exact Mass355.00
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid
SMILESCC(Nc1ccccc1F)(C(=O)O)c1cc(Br)ccc1F
InChIInChI=1S/C15H12BrF2NO2/c1-15(14(20)21,10-8-9(16)6-7-11(10)17)19-13-5-3-2-4-12(13)18/h2-8,19H,1H3,(H,20,21)
InChIKeyNOJRVYAOXGEHNG-UHFFFAOYSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid
CID 60994863
2-(5-bromo-2-fluorophenyl)-2-(4-fluoroanilino)propanoic acid
CID 82955167
2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide
CID 82956528
2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid
CID 60994733
2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid
CID 60993618
2-(2-fluoroanilino)-2-(2-fluorophenyl)propanamide
CID 60991023
2-(3-bromoanilino)-2-(4-bromo-2-fluorophenyl)propanoic acid
CID 82955551
2-(3-bromophenyl)-2-(2-methylanilino)propanoic acid
CID 60992588
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropanoic acid
CID 79623525
2-(2-fluoroanilino)-2,3-dimethylbutanoic acid
CID 62487925
2-(4-bromo-2-chlorophenyl)-2-(2-fluoroanilino)propan-1-ol
CID 82779756
2-(5-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid
CID 150097607

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid (CID 82955939) is 2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid is CC(Nc1ccccc1F)(C(=O)O)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid?
The InChIKey is NOJRVYAOXGEHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO2/c1-15(14(20)21,10-8-9(16)6-7-11(10)17)19-13-5-3-2-4-12(13)18/h2-8,19H,1H3,(H,20,21).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid?
2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid has a molecular weight of 356.17 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid is sourced from PubChem (CID 82955939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).