2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid

C15H14FNO4 — CID 60992204

IUPAC2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(Nc2ccc(F)cc2)C(=O)O)cc1O
InChIInChI=1S/C15H14FNO4/c1-21-13-7-2-9(8-12(13)18)14(15(19)20)17-11-5-3-10(16)4-6-11/h2-8,14,17-18H,1H3,(H,19,20)
InChIKeyWFEDPPMKAPFSJS-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.78
Rot. Bonds5

About 2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid

2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid (PubChem CID 60992204) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
PubChem CID60992204
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(Nc2ccc(F)cc2)C(=O)O)cc1O
InChIInChI=1S/C15H14FNO4/c1-21-13-7-2-9(8-12(13)18)14(15(19)20)17-11-5-3-10(16)4-6-11/h2-8,14,17-18H,1H3,(H,19,20)
InChIKeyWFEDPPMKAPFSJS-UHFFFAOYSA-N
XLogP2.78
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 60990827
2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 60991250
2-(3-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62131901
2-(3,4-dimethoxyphenyl)-2-[(7-fluoro-3-hydroxy-2H-isoindol-5-yl)amino]acetic acid
CID 91405869
2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid
CID 65026525
2-[4-(difluoromethyl)phenyl]-2-(4-fluoroanilino)acetic acid
CID 115524519
2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992095
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
2-(4-fluoroanilino)-2-(4-methylsulfanylphenyl)acetic acid
CID 60991973
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid
CID 104816536

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid?
The IUPAC name of 2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid (CID 60992204) is 2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid is COc1ccc(C(Nc2ccc(F)cc2)C(=O)O)cc1O.
What is the InChIKey of 2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid?
The InChIKey is WFEDPPMKAPFSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-21-13-7-2-9(8-12(13)18)14(15(19)20)17-11-5-3-10(16)4-6-11/h2-8,14,17-18H,1H3,(H,19,20).
What are the key properties of 2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid?
2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid has a molecular weight of 291.28 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid is sourced from PubChem (CID 60992204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).