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

C15H13ClFNO3 — CID 65026525

IUPAC2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid
SMILESCOc1ccc(C(Nc2cccc(F)c2)C(=O)O)cc1Cl
InChIInChI=1S/C15H13ClFNO3/c1-21-13-6-5-9(7-12(13)16)14(15(19)20)18-11-4-2-3-10(17)8-11/h2-8,14,18H,1H3,(H,19,20)
InChIKeyJRWJOYWBXPSUMR-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.73
Rot. Bonds5

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

2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid (PubChem CID 65026525) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid
PubChem CID65026525
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Name2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid
SMILESCOc1ccc(C(Nc2cccc(F)c2)C(=O)O)cc1Cl
InChIInChI=1S/C15H13ClFNO3/c1-21-13-6-5-9(7-12(13)16)14(15(19)20)18-11-4-2-3-10(17)8-11/h2-8,14,18H,1H3,(H,19,20)
InChIKeyJRWJOYWBXPSUMR-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-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 65026414
2-(3-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62131901
2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid
CID 60993174
2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833
2-anilino-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026961
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65027018
2-(3-chloro-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 65026303
2-(3-fluoroanilino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 60996040
2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 60992204
(3-chloro-4-methoxyphenyl)-(3-fluorophenyl)methanol
CID 61101567
2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid
CID 60993011
2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid (CID 65026525) is 2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid is COc1ccc(C(Nc2cccc(F)c2)C(=O)O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid?
The InChIKey is JRWJOYWBXPSUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-21-13-6-5-9(7-12(13)16)14(15(19)20)18-11-4-2-3-10(17)8-11/h2-8,14,18H,1H3,(H,19,20).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid?
2-(3-chloro-4-methoxyphenyl)-2-(3-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-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid is sourced from PubChem (CID 65026525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).