2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid

C17H18FNO2 — CID 60993618

IUPAC2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid
SMILESCc1ccc(C(C)(Nc2ccccc2F)C(=O)O)cc1C
InChIInChI=1S/C17H18FNO2/c1-11-8-9-13(10-12(11)2)17(3,16(20)21)19-15-7-5-4-6-14(15)18/h4-10,19H,1-3H3,(H,20,21)
InChIKeyKUDWNKHMKCYRMC-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.85
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid

2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid (PubChem CID 60993618) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid
PubChem CID60993618
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid
SMILESCc1ccc(C(C)(Nc2ccccc2F)C(=O)O)cc1C
InChIInChI=1S/C17H18FNO2/c1-11-8-9-13(10-12(11)2)17(3,16(20)21)19-15-7-5-4-6-14(15)18/h4-10,19H,1-3H3,(H,20,21)
InChIKeyKUDWNKHMKCYRMC-UHFFFAOYSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid
CID 60994733
2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid
CID 60994863
2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid
CID 60993781
2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid
CID 82955939
2-(3-bromophenyl)-2-(2-methylanilino)propanoic acid
CID 60992588
2-acetamido-2-(3,4-dimethylphenyl)propanoic acid
CID 63705027
2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid
CID 60990825
2-(4-cyano-2-fluoroanilino)-2-phenylpropanoic acid
CID 62489235
2-(2-fluoroanilino)-2,3-dimethylbutanoic acid
CID 62487925
2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid
CID 60991517
2-(2-fluoroanilino)-2-(2-fluorophenyl)propanamide
CID 60991023
2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
CID 60991913

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid (CID 60993618) is 2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid is Cc1ccc(C(C)(Nc2ccccc2F)C(=O)O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid?
The InChIKey is KUDWNKHMKCYRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11-8-9-13(10-12(11)2)17(3,16(20)21)19-15-7-5-4-6-14(15)18/h4-10,19H,1-3H3,(H,20,21).
What are the key properties of 2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid?
2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid has a molecular weight of 287.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid is sourced from PubChem (CID 60993618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).