2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid

C16H16FNO3 — CID 62134648

IUPAC2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid
SMILESCOc1ccccc1NC(C(=O)O)c1ccc(F)cc1C
InChIInChI=1S/C16H16FNO3/c1-10-9-11(17)7-8-12(10)15(16(19)20)18-13-5-3-4-6-14(13)21-2/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyOLDUDXUMIDWVNY-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid

2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid (PubChem CID 62134648) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid
PubChem CID62134648
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid
SMILESCOc1ccccc1NC(C(=O)O)c1ccc(F)cc1C
InChIInChI=1S/C16H16FNO3/c1-10-9-11(17)7-8-12(10)15(16(19)20)18-13-5-3-4-6-14(13)21-2/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeyOLDUDXUMIDWVNY-UHFFFAOYSA-N
XLogP3.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-2-(4-fluoro-2-methylphenyl)acetic acid
CID 62136008
2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid
CID 103245512
methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate
CID 62134309
2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid
CID 60994711
methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate
CID 60993730
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid
CID 107698154
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
2-(5-chloro-2-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 114843540
2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62132447
2-anilino-2-(4-fluoro-2-methylphenyl)acetamide
CID 62135663
2-(4-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 60710758

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid (CID 62134648) is 2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid is COc1ccccc1NC(C(=O)O)c1ccc(F)cc1C.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid?
The InChIKey is OLDUDXUMIDWVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-10-9-11(17)7-8-12(10)15(16(19)20)18-13-5-3-4-6-14(13)21-2/h3-9,15,18H,1-2H3,(H,19,20).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid?
2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid has a molecular weight of 289.31 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid is sourced from PubChem (CID 62134648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).