2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid

C15H13F2NO3 — CID 60994711

IUPAC2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid
SMILESCOc1ccccc1NC(C(=O)O)c1c(F)cccc1F
InChIInChI=1S/C15H13F2NO3/c1-21-12-8-3-2-7-11(12)18-14(15(19)20)13-9(16)5-4-6-10(13)17/h2-8,14,18H,1H3,(H,19,20)
InChIKeyMHISAIDZAIYZEL-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.21
Rot. Bonds5

About 2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid

2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid (PubChem CID 60994711) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid
PubChem CID60994711
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid
SMILESCOc1ccccc1NC(C(=O)O)c1c(F)cccc1F
InChIInChI=1S/C15H13F2NO3/c1-21-12-8-3-2-7-11(12)18-14(15(19)20)13-9(16)5-4-6-10(13)17/h2-8,14,18H,1H3,(H,19,20)
InChIKeyMHISAIDZAIYZEL-UHFFFAOYSA-N
XLogP3.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
CID 7148168
2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid
CID 62134648
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid
CID 103245512
2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62132447
2-(5-chloro-2-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 114843540
(2S)-2-(2-methoxyanilino)-2-phenylacetate
CID 7148257
(2R)-2-(2-methoxyanilino)-4-oxo-4-phenylbutanoic acid
CID 1088578
2-(4-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 60710758
2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid
CID 60993052
(2S)-2-(2-methoxyanilino)-3-methylbutanoic acid
CID 15383895

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid?
The IUPAC name of 2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid (CID 60994711) is 2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid.
What is the SMILES notation for 2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid?
The canonical SMILES for 2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid is COc1ccccc1NC(C(=O)O)c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid?
The InChIKey is MHISAIDZAIYZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c1-21-12-8-3-2-7-11(12)18-14(15(19)20)13-9(16)5-4-6-10(13)17/h2-8,14,18H,1H3,(H,19,20).
What are the key properties of 2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid?
2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid has a molecular weight of 293.27 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid is sourced from PubChem (CID 60994711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).