2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid

C15H14FNO2 — CID 114075665

IUPAC2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid
SMILESCc1ccc(F)cc1C(Nc1ccccc1)C(=O)O
InChIInChI=1S/C15H14FNO2/c1-10-7-8-11(16)9-13(10)14(15(18)19)17-12-5-3-2-4-6-12/h2-9,14,17H,1H3,(H,18,19)
InChIKeyJXUHXMSTPZCSDB-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.37
Rot. Bonds4

About 2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid

2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid (PubChem CID 114075665) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid
PubChem CID114075665
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid
SMILESCc1ccc(F)cc1C(Nc1ccccc1)C(=O)O
InChIInChI=1S/C15H14FNO2/c1-10-7-8-11(16)9-13(10)14(15(18)19)17-12-5-3-2-4-6-12/h2-9,14,17H,1H3,(H,18,19)
InChIKeyJXUHXMSTPZCSDB-UHFFFAOYSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-2-(4-fluoro-2-methylphenyl)acetic acid
CID 62136008
2-anilino-2-(4-fluoro-2-methylphenyl)acetamide
CID 62135663
2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid
CID 107698154
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
2-(4-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54889513
2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992205
2-(3-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54890173
2-anilino-2-(2,4,6-trimethylphenyl)acetic acid
CID 60992437
2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid
CID 54890917
2-anilino-2-(2,4-difluorophenyl)acetamide
CID 54889357
2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid
CID 60993908
2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54890074

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid?
The IUPAC name of 2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid (CID 114075665) is 2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid.
What is the SMILES notation for 2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid?
The canonical SMILES for 2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid is Cc1ccc(F)cc1C(Nc1ccccc1)C(=O)O.
What is the InChIKey of 2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid?
The InChIKey is JXUHXMSTPZCSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-7-8-11(16)9-13(10)14(15(18)19)17-12-5-3-2-4-6-12/h2-9,14,17H,1H3,(H,18,19).
What are the key properties of 2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid?
2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid has a molecular weight of 259.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid is sourced from PubChem (CID 114075665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).