3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid

C11H14FNO2 — CID 130985573

IUPAC3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid
SMILESCC(C)N(C)c1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C11H14FNO2/c1-7(2)13(3)10-5-8(11(14)15)4-9(12)6-10/h4-7H,1-3H3,(H,14,15)
InChIKeyUIYLNUJRKQRKDO-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.37
Rot. Bonds3

About 3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid

3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid (PubChem CID 130985573) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid
PubChem CID130985573
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid
SMILESCC(C)N(C)c1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C11H14FNO2/c1-7(2)13(3)10-5-8(11(14)15)4-9(12)6-10/h4-7H,1-3H3,(H,14,15)
InChIKeyUIYLNUJRKQRKDO-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-4-[methyl(propan-2-yl)amino]benzoic acid
CID 147174153
3-fluoro-5-(N-methylanilino)benzoic acid
CID 82537620
3-fluoro-5-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
CID 82537873
3-[ethyl(propyl)amino]-5-fluorobenzoic acid
CID 143171308
1-[3-(dimethylamino)-5-fluorophenyl]ethanone
CID 82535454
3-(1-carboxyethylamino)-5-fluorobenzoic acid
CID 82539663
3-(1-cyanoethyl)-5-fluorobenzoic acid
CID 130135358
CID 144826578
CID 144826578
3-fluoro-5-(2-hydroxypropylamino)benzoic acid
CID 82539772
5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 70359048
4-(dimethylamino)-3,5-difluorobenzoic acid
CID 63078254
3-(2,4-difluorophenyl)-5-[methyl(2-methylpropanoyl)amino]benzoic acid
CID 67510703

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid?
The IUPAC name of 3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid (CID 130985573) is 3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid.
What is the SMILES notation for 3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid?
The canonical SMILES for 3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid is CC(C)N(C)c1cc(F)cc(C(=O)O)c1.
What is the InChIKey of 3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid?
The InChIKey is UIYLNUJRKQRKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7(2)13(3)10-5-8(11(14)15)4-9(12)6-10/h4-7H,1-3H3,(H,14,15).
What are the key properties of 3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid?
3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid has a molecular weight of 211.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[methyl(propan-2-yl)amino]benzoic acid is sourced from PubChem (CID 130985573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).