2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid

C14H10BrF2NO2 — CID 60992095

IUPAC2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1ccc(F)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrF2NO2/c15-11-7-8(1-6-12(11)17)13(14(19)20)18-10-4-2-9(16)3-5-10/h1-7,13,18H,(H,19,20)
InChIKeyRWBZEESCZJYGBB-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.97
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid

2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid (PubChem CID 60992095) has the molecular formula C14H10BrF2NO2 and a molecular weight of 342.14 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid
PubChem CID60992095
Molecular FormulaC14H10BrF2NO2
Molecular Weight342.14 g/mol
Exact Mass340.99
IUPAC Name2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1ccc(F)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrF2NO2/c15-11-7-8(1-6-12(11)17)13(14(19)20)18-10-4-2-9(16)3-5-10/h1-7,13,18H,(H,19,20)
InChIKeyRWBZEESCZJYGBB-UHFFFAOYSA-N
XLogP3.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
2-[4-(difluoromethyl)phenyl]-2-(4-fluoroanilino)acetic acid
CID 115524519
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
CID 63648624
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415
2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid
CID 114283022
2-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)acetic acid
CID 60992329
2-(4-fluoroanilino)-2-(4-methylsulfanylphenyl)acetic acid
CID 60991973
2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 60992204
2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid
CID 54890320
2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992205
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid (CID 60992095) is 2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid is O=C(O)C(Nc1ccc(F)cc1)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid?
The InChIKey is RWBZEESCZJYGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2/c15-11-7-8(1-6-12(11)17)13(14(19)20)18-10-4-2-9(16)3-5-10/h1-7,13,18H,(H,19,20).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid?
2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid has a molecular weight of 342.14 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid is sourced from PubChem (CID 60992095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).