2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid

C11H14FNO2 — CID 82236350

IUPAC2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid
SMILESCc1ccc(NC(C)(C)C(=O)O)c(F)c1
InChIInChI=1S/C11H14FNO2/c1-7-4-5-9(8(12)6-7)13-11(2,3)10(14)15/h4-6,13H,1-3H3,(H,14,15)
InChIKeyZMCQMESHQUAZAX-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.41
Rot. Bonds3

About 2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid

2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid (PubChem CID 82236350) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid
PubChem CID82236350
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid
SMILESCc1ccc(NC(C)(C)C(=O)O)c(F)c1
InChIInChI=1S/C11H14FNO2/c1-7-4-5-9(8(12)6-7)13-11(2,3)10(14)15/h4-6,13H,1-3H3,(H,14,15)
InChIKeyZMCQMESHQUAZAX-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-4-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643855
2-(4-fluoro-2-methylanilino)-2-methylpropanoic acid
CID 82236348
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
N-(2-fluoro-4-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62835057
3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide
CID 65264934
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
CID 61148813
2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide
CID 114038112
3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 176938871
ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate
CID 115128672
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
2-(2-methoxy-4,5-dimethylanilino)-2-methylpropanoic acid
CID 115127742
4-(2-fluoro-4-methylanilino)-4-oxobutanoic acid
CID 43396222

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid?
The IUPAC name of 2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid (CID 82236350) is 2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid is Cc1ccc(NC(C)(C)C(=O)O)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid?
The InChIKey is ZMCQMESHQUAZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-4-5-9(8(12)6-7)13-11(2,3)10(14)15/h4-6,13H,1-3H3,(H,14,15).
What are the key properties of 2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid?
2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid has a molecular weight of 211.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid is sourced from PubChem (CID 82236350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).