2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid

C14H12FNO3 — CID 107690184

IUPAC2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid
SMILESO=C(O)C(Nc1ccccc1)c1ccc(O)c(F)c1
InChIInChI=1S/C14H12FNO3/c15-11-8-9(6-7-12(11)17)13(14(18)19)16-10-4-2-1-3-5-10/h1-8,13,16-17H,(H,18,19)
InChIKeyXFNZVELMUYMQEP-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.77
Rot. Bonds4

About 2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid

2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid (PubChem CID 107690184) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid
PubChem CID107690184
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid
SMILESO=C(O)C(Nc1ccccc1)c1ccc(O)c(F)c1
InChIInChI=1S/C14H12FNO3/c15-11-8-9(6-7-12(11)17)13(14(18)19)16-10-4-2-1-3-5-10/h1-8,13,16-17H,(H,18,19)
InChIKeyXFNZVELMUYMQEP-UHFFFAOYSA-N
XLogP2.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid
CID 107690254
2-anilino-2-(3,4,5-trifluorophenyl)acetic acid
CID 63076629
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-(3-fluoro-4-hydroxyphenyl)-2-(4-methylanilino)acetamide
CID 107686167
2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid
CID 81437594
methyl 2-(3-chloroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690201
2-(3,4-difluoroanilino)-2-phenylacetic acid
CID 70136310
2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid
CID 60993011
2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
CID 63648624
2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833
2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 60990813

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid (CID 107690184) is 2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid is O=C(O)C(Nc1ccccc1)c1ccc(O)c(F)c1.
What is the InChIKey of 2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid?
The InChIKey is XFNZVELMUYMQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-11-8-9(6-7-12(11)17)13(14(18)19)16-10-4-2-1-3-5-10/h1-8,13,16-17H,(H,18,19).
What are the key properties of 2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid?
2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid has a molecular weight of 261.25 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 107690184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).