2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid

C15H13ClFNO2 — CID 60992738

IUPAC2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid
SMILESCC(Nc1cccc(F)c1)(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C15H13ClFNO2/c1-15(14(19)20,12-7-2-3-8-13(12)16)18-11-6-4-5-10(17)9-11/h2-9,18H,1H3,(H,19,20)
InChIKeyGRIPCPKPYZFPKY-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.89
Rot. Bonds4

About 2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid

2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid (PubChem CID 60992738) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid
PubChem CID60992738
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid
SMILESCC(Nc1cccc(F)c1)(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C15H13ClFNO2/c1-15(14(19)20,12-7-2-3-8-13(12)16)18-11-6-4-5-10(17)9-11/h2-9,18H,1H3,(H,19,20)
InChIKeyGRIPCPKPYZFPKY-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 60994028
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
2-(3-fluoroanilino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60992748
2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
CID 60991913
2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid
CID 60994633
2-ethyl-2-(3-fluoroanilino)butanoic acid
CID 60993028
2-(3-bromoanilino)-2-(4-bromo-2-fluorophenyl)propanoic acid
CID 82955551
(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid
CID 93280138
2-(3-chloroanilino)-2-(2,4-difluorophenyl)propanamide
CID 60996710
2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868131
2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide
CID 54891507
(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid?
The IUPAC name of 2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid (CID 60992738) is 2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid?
The canonical SMILES for 2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid is CC(Nc1cccc(F)c1)(C(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid?
The InChIKey is GRIPCPKPYZFPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-15(14(19)20,12-7-2-3-8-13(12)16)18-11-6-4-5-10(17)9-11/h2-9,18H,1H3,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid?
2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid has a molecular weight of 293.73 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid is sourced from PubChem (CID 60992738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).