2-anilino-2-(3-fluorophenyl)propanoic acid

C15H14FNO2 — CID 60991500

IUPAC2-anilino-2-(3-fluorophenyl)propanoic acid
SMILESCC(Nc1ccccc1)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C15H14FNO2/c1-15(14(18)19,11-6-5-7-12(16)10-11)17-13-8-3-2-4-9-13/h2-10,17H,1H3,(H,18,19)
InChIKeyMPDVZEZUFBLKHH-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.24
Rot. Bonds4

About 2-anilino-2-(3-fluorophenyl)propanoic acid

2-anilino-2-(3-fluorophenyl)propanoic acid (PubChem CID 60991500) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-anilino-2-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-anilino-2-(3-fluorophenyl)propanoic acid
PubChem CID60991500
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-anilino-2-(3-fluorophenyl)propanoic acid
SMILESCC(Nc1ccccc1)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C15H14FNO2/c1-15(14(18)19,11-6-5-7-12(16)10-11)17-13-8-3-2-4-9-13/h2-10,17H,1H3,(H,18,19)
InChIKeyMPDVZEZUFBLKHH-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 60994028
(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972
2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
CID 60991913
2-(3-fluoroanilino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60992748
2-(3-fluorophenyl)-2-formamidopropanoic acid
CID 63687632
2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
CID 60991447
2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid
CID 60992738
2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid
CID 60993850
2-(3-fluorophenyl)-2-phenylpropanoic acid
CID 18931684
2-(3-bromophenyl)-2-(3-fluoro-5-methylanilino)propanoic acid
CID 79044474
2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid
CID 114991216
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(3-fluorophenyl)propanoic acid?
The IUPAC name of 2-anilino-2-(3-fluorophenyl)propanoic acid (CID 60991500) is 2-anilino-2-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-anilino-2-(3-fluorophenyl)propanoic acid?
The canonical SMILES for 2-anilino-2-(3-fluorophenyl)propanoic acid is CC(Nc1ccccc1)(C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-anilino-2-(3-fluorophenyl)propanoic acid?
The InChIKey is MPDVZEZUFBLKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-15(14(18)19,11-6-5-7-12(16)10-11)17-13-8-3-2-4-9-13/h2-10,17H,1H3,(H,18,19).
What are the key properties of 2-anilino-2-(3-fluorophenyl)propanoic acid?
2-anilino-2-(3-fluorophenyl)propanoic acid has a molecular weight of 259.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 60991500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).