2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid

C15H13ClFNO3 — CID 104816536

IUPAC2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid
SMILESCOc1cccc(Cl)c1C(Nc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H13ClFNO3/c1-21-12-4-2-3-11(16)13(12)14(15(19)20)18-10-7-5-9(17)6-8-10/h2-8,14,18H,1H3,(H,19,20)
InChIKeyFJUBXYUBNUWYRR-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.73
Rot. Bonds5

About 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid

2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid (PubChem CID 104816536) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid
PubChem CID104816536
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Name2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid
SMILESCOc1cccc(Cl)c1C(Nc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H13ClFNO3/c1-21-12-4-2-3-11(16)13(12)14(15(19)20)18-10-7-5-9(17)6-8-10/h2-8,14,18H,1H3,(H,19,20)
InChIKeyFJUBXYUBNUWYRR-UHFFFAOYSA-N
XLogP3.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid
CID 104816514
2-(3-chloroanilino)-2-(2-chloro-6-methoxyphenyl)acetic acid
CID 104816535
2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 104816539
methyl 2-anilino-2-(2-chloro-6-methoxyphenyl)acetate
CID 104816532
2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60992556
2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol
CID 104817673
2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid
CID 104816578
2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 60992204
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid
CID 65026525
2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid
CID 60994711
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid (CID 104816536) is 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid is COc1cccc(Cl)c1C(Nc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid?
The InChIKey is FJUBXYUBNUWYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-21-12-4-2-3-11(16)13(12)14(15(19)20)18-10-7-5-9(17)6-8-10/h2-8,14,18H,1H3,(H,19,20).
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid?
2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid has a molecular weight of 309.72 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)acetic acid is sourced from PubChem (CID 104816536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).