2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid

C13H15FN2O3 — CID 107796472

IUPAC2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid
SMILESC=C(C)CN(C)C(=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C13H15FN2O3/c1-8(2)7-16(3)13(19)15-9-4-5-10(12(17)18)11(14)6-9/h4-6H,1,7H2,2-3H3,(H,15,19)(H,17,18)
InChIKeyAVLGIIAILJYHIM-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.56
Rot. Bonds4

About 2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid

2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid (PubChem CID 107796472) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid
PubChem CID107796472
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid
SMILESC=C(C)CN(C)C(=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C13H15FN2O3/c1-8(2)7-16(3)13(19)15-9-4-5-10(12(17)18)11(14)6-9/h4-6H,1,7H2,2-3H3,(H,15,19)(H,17,18)
InChIKeyAVLGIIAILJYHIM-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid
CID 107795694
4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 107793055
2-fluoro-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]benzoic acid
CID 107796340
2-fluoro-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]benzoic acid
CID 107796357
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-fluorobenzoic acid
CID 61198437
2-fluoro-4-(2-methylprop-2-enylamino)benzoic acid
CID 114619128
2-fluoro-4-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]benzoic acid
CID 107796183
2-fluoro-4-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]benzoic acid
CID 107796209
2-fluoro-4-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]benzoic acid
CID 107796316
methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate
CID 71969096
2-fluoro-4-[3-(methylamino)propanoylamino]benzoic acid
CID 114002257
4-[2-(dimethylamino)ethylcarbamoylamino]-2-fluorobenzoic acid
CID 107795716

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid (CID 107796472) is 2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid is C=C(C)CN(C)C(=O)Nc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid?
The InChIKey is AVLGIIAILJYHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8(2)7-16(3)13(19)15-9-4-5-10(12(17)18)11(14)6-9/h4-6H,1,7H2,2-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid?
2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid has a molecular weight of 266.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 107796472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).