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

C11H14FNO2 — CID 82236348

IUPAC2-(4-fluoro-2-methylanilino)-2-methylpropanoic acid
SMILESCc1cc(F)ccc1NC(C)(C)C(=O)O
InChIInChI=1S/C11H14FNO2/c1-7-6-8(12)4-5-9(7)13-11(2,3)10(14)15/h4-6,13H,1-3H3,(H,14,15)
InChIKeyACYBDDSEKIHRSC-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.41
Rot. Bonds3

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

2-(4-fluoro-2-methylanilino)-2-methylpropanoic acid (PubChem CID 82236348) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylanilino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-fluoro-2-methylanilino)-2-methylpropanoic acid
PubChem CID82236348
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-(4-fluoro-2-methylanilino)-2-methylpropanoic acid
SMILESCc1cc(F)ccc1NC(C)(C)C(=O)O
InChIInChI=1S/C11H14FNO2/c1-7-6-8(12)4-5-9(7)13-11(2,3)10(14)15/h4-6,13H,1-3H3,(H,14,15)
InChIKeyACYBDDSEKIHRSC-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

2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid
CID 82236350
3,5-difluoro-4-(4-fluoro-2-methylanilino)benzoic acid
CID 63183976
2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62821454
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263881
N-(4-fluoro-2-methylphenyl)-2-oxopropanamide
CID 143920338
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024305
2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid
CID 103236050
3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid
CID 43452888
3-amino-4-(4-fluoro-2-methylanilino)benzoic acid
CID 54888083
ethyl 2-(2,4-difluoroanilino)-2-methylpropanoate
CID 115128672
2-(2-fluoro-4-nitroanilino)-2-methylpropanoic acid
CID 61265723
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylanilino)-2-methylpropanoic acid?
The IUPAC name of 2-(4-fluoro-2-methylanilino)-2-methylpropanoic acid (CID 82236348) is 2-(4-fluoro-2-methylanilino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-fluoro-2-methylanilino)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-fluoro-2-methylanilino)-2-methylpropanoic acid is Cc1cc(F)ccc1NC(C)(C)C(=O)O.
What is the InChIKey of 2-(4-fluoro-2-methylanilino)-2-methylpropanoic acid?
The InChIKey is ACYBDDSEKIHRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-6-8(12)4-5-9(7)13-11(2,3)10(14)15/h4-6,13H,1-3H3,(H,14,15).
What are the key properties of 2-(4-fluoro-2-methylanilino)-2-methylpropanoic acid?
2-(4-fluoro-2-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-(4-fluoro-2-methylanilino)-2-methylpropanoic acid is sourced from PubChem (CID 82236348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).