2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid

C16H16FNO3 — CID 62132447

IUPAC2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
SMILESCOc1ccc(C(Nc2ccccc2F)C(=O)O)cc1C
InChIInChI=1S/C16H16FNO3/c1-10-9-11(7-8-14(10)21-2)15(16(19)20)18-13-6-4-3-5-12(13)17/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeySTLLNSDPMPIKPL-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.38
Rot. Bonds5

About 2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid

2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid (PubChem CID 62132447) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
PubChem CID62132447
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
SMILESCOc1ccc(C(Nc2ccccc2F)C(=O)O)cc1C
InChIInChI=1S/C16H16FNO3/c1-10-9-11(7-8-14(10)21-2)15(16(19)20)18-13-6-4-3-5-12(13)17/h3-9,15,18H,1-2H3,(H,19,20)
InChIKeySTLLNSDPMPIKPL-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-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62131190
2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid
CID 60993052
2-(3-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62131901
2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 60990827
2-(3-chloro-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 65026303
2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid
CID 107690254
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylanilino)acetamide
CID 65096149
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785
2-(2-fluoroanilino)-2-(4-fluoro-3-methylphenyl)acetamide
CID 62122201
2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid
CID 115527074
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid
CID 54890559

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid?
The IUPAC name of 2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid (CID 62132447) is 2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid.
What is the SMILES notation for 2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid?
The canonical SMILES for 2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid is COc1ccc(C(Nc2ccccc2F)C(=O)O)cc1C.
What is the InChIKey of 2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid?
The InChIKey is STLLNSDPMPIKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-10-9-11(7-8-14(10)21-2)15(16(19)20)18-13-6-4-3-5-12(13)17/h3-9,15,18H,1-2H3,(H,19,20).
What are the key properties of 2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid?
2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)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-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid is sourced from PubChem (CID 62132447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).