2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid

C15H14FNO3 — CID 103245512

IUPAC2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid
SMILESCOc1cc(F)ccc1NC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H14FNO3/c1-20-13-9-11(16)7-8-12(13)17-14(15(18)19)10-5-3-2-4-6-10/h2-9,14,17H,1H3,(H,18,19)
InChIKeyGJPQCMZWWQSPBX-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.07
Rot. Bonds5

About 2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid

2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid (PubChem CID 103245512) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid
PubChem CID103245512
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid
SMILESCOc1cc(F)ccc1NC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H14FNO3/c1-20-13-9-11(16)7-8-12(13)17-14(15(18)19)10-5-3-2-4-6-10/h2-9,14,17H,1H3,(H,18,19)
InChIKeyGJPQCMZWWQSPBX-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

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Related Compounds

2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid
CID 70136769
2-(2,5-difluoroanilino)-2-phenylacetic acid
CID 58556979
2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid
CID 62134648
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
CID 7148168
(2S)-2-(2-methoxyanilino)-2-phenylacetate
CID 7148257
2-(4-fluoro-2-methoxyanilino)butanamide
CID 62900802
2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid
CID 60994711
2-(4-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 60710758
2-(4-fluoro-2-methoxyanilino)propanamide
CID 47165201
N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide
CID 55593206

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid?
The IUPAC name of 2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid (CID 103245512) is 2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid.
What is the SMILES notation for 2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid?
The canonical SMILES for 2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid is COc1cc(F)ccc1NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid?
The InChIKey is GJPQCMZWWQSPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-20-13-9-11(16)7-8-12(13)17-14(15(18)19)10-5-3-2-4-6-10/h2-9,14,17H,1H3,(H,18,19).
What are the key properties of 2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid?
2-(4-fluoro-2-methoxyanilino)-2-phenylacetic 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-fluoro-2-methoxyanilino)-2-phenylacetic acid is sourced from PubChem (CID 103245512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).