2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid

C15H13ClFNO3 — CID 114843642

IUPAC2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid
SMILESCOc1ccc(NC(C(=O)O)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C15H13ClFNO3/c1-21-11-5-3-10(4-6-11)18-14(15(19)20)12-8-9(16)2-7-13(12)17/h2-8,14,18H,1H3,(H,19,20)
InChIKeyOUVDAVIBMAOABL-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.73
Rot. Bonds5

About 2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid

2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid (PubChem CID 114843642) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid
PubChem CID114843642
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Name2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid
SMILESCOc1ccc(NC(C(=O)O)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C15H13ClFNO3/c1-21-11-5-3-10(4-6-11)18-14(15(19)20)12-8-9(16)2-7-13(12)17/h2-8,14,18H,1H3,(H,19,20)
InChIKeyOUVDAVIBMAOABL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991192
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide
CID 81146886
2-(2,6-dichlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60992556
2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738
2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid
CID 60993908
methyl 2-(5-bromo-2-fluorophenyl)-2-(4-chloroanilino)acetate
CID 60994342
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid
CID 114843653
2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid
CID 114868069
ethyl (2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)acetate
CID 134946729
2-(5-chloro-2-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 114843540
2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992205

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid (CID 114843642) is 2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid is COc1ccc(NC(C(=O)O)c2cc(Cl)ccc2F)cc1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid?
The InChIKey is OUVDAVIBMAOABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-21-11-5-3-10(4-6-11)18-14(15(19)20)12-8-9(16)2-7-13(12)17/h2-8,14,18H,1H3,(H,19,20).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid?
2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)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-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid is sourced from PubChem (CID 114843642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).