3-(4-fluoro-2-methylanilino)butanoic acid

C11H14FNO2 — CID 43536774

IUPAC3-(4-fluoro-2-methylanilino)butanoic acid
SMILESCc1cc(F)ccc1NC(C)CC(=O)O
InChIInChI=1S/C11H14FNO2/c1-7-5-9(12)3-4-10(7)13-8(2)6-11(14)15/h3-5,8,13H,6H2,1-2H3,(H,14,15)
InChIKeySUBZINGFQYPCIM-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.41
Rot. Bonds4

About 3-(4-fluoro-2-methylanilino)butanoic acid

3-(4-fluoro-2-methylanilino)butanoic acid (PubChem CID 43536774) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylanilino)butanoic acid.

Molecular Properties

Compound Name3-(4-fluoro-2-methylanilino)butanoic acid
PubChem CID43536774
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-(4-fluoro-2-methylanilino)butanoic acid
SMILESCc1cc(F)ccc1NC(C)CC(=O)O
InChIInChI=1S/C11H14FNO2/c1-7-5-9(12)3-4-10(7)13-8(2)6-11(14)15/h3-5,8,13H,6H2,1-2H3,(H,14,15)
InChIKeySUBZINGFQYPCIM-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-(4-fluoro-2-methylanilino)butanamide
CID 115925836
tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate
CID 103387299
3-(2,3,5-trifluoroanilino)butanoic acid
CID 62810258
3-[2-methyl-5-(trifluoromethyl)anilino]butanoic acid
CID 66480950
3-(5-bromo-2-fluoroanilino)butanoic acid
CID 43555615
2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113611
3-(2,5-dichloro-4-methylanilino)butanoic acid
CID 104726951
N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide
CID 47147961
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 50875807
1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51080192
5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid
CID 103236056
3-(3,4-dimethylanilino)butanoic acid
CID 12999033

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylanilino)butanoic acid?
The IUPAC name of 3-(4-fluoro-2-methylanilino)butanoic acid (CID 43536774) is 3-(4-fluoro-2-methylanilino)butanoic acid.
What is the SMILES notation for 3-(4-fluoro-2-methylanilino)butanoic acid?
The canonical SMILES for 3-(4-fluoro-2-methylanilino)butanoic acid is Cc1cc(F)ccc1NC(C)CC(=O)O.
What is the InChIKey of 3-(4-fluoro-2-methylanilino)butanoic acid?
The InChIKey is SUBZINGFQYPCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-5-9(12)3-4-10(7)13-8(2)6-11(14)15/h3-5,8,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-(4-fluoro-2-methylanilino)butanoic acid?
3-(4-fluoro-2-methylanilino)butanoic acid has a molecular weight of 211.24 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylanilino)butanoic acid is sourced from PubChem (CID 43536774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).