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

C15H14FNO3 — CID 60991336

IUPAC2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
SMILESCOc1ccc(NC(C(=O)O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO3/c1-20-13-8-6-12(7-9-13)17-14(15(18)19)10-2-4-11(16)5-3-10/h2-9,14,17H,1H3,(H,18,19)
InChIKeyAXSZMWXHEBIQJS-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.07
Rot. Bonds5

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

2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid (PubChem CID 60991336) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
PubChem CID60991336
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
SMILESCOc1ccc(NC(C(=O)O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO3/c1-20-13-8-6-12(7-9-13)17-14(15(18)19)10-2-4-11(16)5-3-10/h2-9,14,17H,1H3,(H,18,19)
InChIKeyAXSZMWXHEBIQJS-UHFFFAOYSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.07
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

methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480
tert-butyl (2R)-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 102495994
2-[4-(difluoromethyl)phenyl]-2-(4-fluoroanilino)acetic acid
CID 115524519
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
2-(4-fluoroanilino)-2-(4-methylsulfanylphenyl)acetic acid
CID 60991973
N-benzyl-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetamide
CID 102492656
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 60992204
2-(4-fluorophenyl)-2-(4-methoxyanilino)-1-naphthalen-1-ylethanone
CID 175404541
2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 114843642
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415
4-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]benzoic acid
CID 175404529

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid?
The IUPAC name of 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid (CID 60991336) is 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid?
The canonical SMILES for 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid is COc1ccc(NC(C(=O)O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid?
The InChIKey is AXSZMWXHEBIQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-20-13-8-6-12(7-9-13)17-14(15(18)19)10-2-4-11(16)5-3-10/h2-9,14,17H,1H3,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid?
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid has a molecular weight of 275.28 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid is sourced from PubChem (CID 60991336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).