2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid

C16H16FNO2 — CID 60991842

IUPAC2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(C)(Nc2ccc(F)cc2)C(=O)O)cc1
InChIInChI=1S/C16H16FNO2/c1-11-3-5-12(6-4-11)16(2,15(19)20)18-14-9-7-13(17)8-10-14/h3-10,18H,1-2H3,(H,19,20)
InChIKeyHWDGAGMDIQNCBK-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.55
Rot. Bonds4

About 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid

2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid (PubChem CID 60991842) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid
PubChem CID60991842
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(C)(Nc2ccc(F)cc2)C(=O)O)cc1
InChIInChI=1S/C16H16FNO2/c1-11-3-5-12(6-4-11)16(2,15(19)20)18-14-9-7-13(17)8-10-14/h3-10,18H,1-2H3,(H,19,20)
InChIKeyHWDGAGMDIQNCBK-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoate
CID 60992217
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 60994028
2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid
CID 60991839
methyl 2-(4-bromophenyl)-2-(4-fluoroanilino)propanoate
CID 60990747
methyl 2-(4-methylanilino)-2-phenylpropanoate
CID 60990669
N-(4-fluorophenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198106
2-anilino-2-(4-bromophenyl)propanoic acid
CID 60990809
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
2-(5-bromo-2-fluorophenyl)-2-(4-fluoroanilino)propanoic acid
CID 82955167
2-(3-fluoroanilino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60992748
2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
CID 60991913

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid?
The IUPAC name of 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid (CID 60991842) is 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid?
The canonical SMILES for 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid is Cc1ccc(C(C)(Nc2ccc(F)cc2)C(=O)O)cc1.
What is the InChIKey of 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid?
The InChIKey is HWDGAGMDIQNCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-3-5-12(6-4-11)16(2,15(19)20)18-14-9-7-13(17)8-10-14/h3-10,18H,1-2H3,(H,19,20).
What are the key properties of 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid?
2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid has a molecular weight of 273.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 60991842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).