2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid

C15H14FNO3 — CID 107698154

IUPAC2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid
SMILESCc1ccccc1NC(C(=O)O)c1cc(F)ccc1O
InChIInChI=1S/C15H14FNO3/c1-9-4-2-3-5-12(9)17-14(15(19)20)11-8-10(16)6-7-13(11)18/h2-8,14,17-18H,1H3,(H,19,20)
InChIKeyVKQBQMKFTGCZEF-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.08
Rot. Bonds4

About 2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid

2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid (PubChem CID 107698154) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid
PubChem CID107698154
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid
SMILESCc1ccccc1NC(C(=O)O)c1cc(F)ccc1O
InChIInChI=1S/C15H14FNO3/c1-9-4-2-3-5-12(9)17-14(15(19)20)11-8-10(16)6-7-13(11)18/h2-8,14,17-18H,1H3,(H,19,20)
InChIKeyVKQBQMKFTGCZEF-UHFFFAOYSA-N
XLogP3.08
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid
CID 114843653
2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid
CID 114075665
2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 107698106
2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid
CID 62134648
2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid
CID 107698104
2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide
CID 107698134
2-anilino-2-(4-fluoro-2-methylphenyl)acetic acid
CID 62136008
2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid
CID 115524516
2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 60990827
2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 105401888
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 106817671
2-(5-fluoro-2-hydroxyphenyl)-2-(4-methylanilino)acetamide
CID 107698125

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid?
The IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid (CID 107698154) is 2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid is Cc1ccccc1NC(C(=O)O)c1cc(F)ccc1O.
What is the InChIKey of 2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid?
The InChIKey is VKQBQMKFTGCZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9-4-2-3-5-12(9)17-14(15(19)20)11-8-10(16)6-7-13(11)18/h2-8,14,17-18H,1H3,(H,19,20).
What are the key properties of 2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid?
2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid has a molecular weight of 275.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid is sourced from PubChem (CID 107698154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).