3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid

C11H13FN2O3 — CID 61196363

IUPAC3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
SMILESCCN(C)C(=O)Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C11H13FN2O3/c1-3-14(2)11(17)13-9-6-7(10(15)16)4-5-8(9)12/h4-6H,3H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyNFIKPCWYRDAFKY-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.01
Rot. Bonds3

About 3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid

3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid (PubChem CID 61196363) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
PubChem CID61196363
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
SMILESCCN(C)C(=O)Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C11H13FN2O3/c1-3-14(2)11(17)13-9-6-7(10(15)16)4-5-8(9)12/h4-6H,3H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyNFIKPCWYRDAFKY-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic 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

4-fluoro-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]benzoic acid
CID 61198056
3-[[butan-2-yl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61196804
3-[[2-cyanoethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61183665
4-fluoro-3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 113426143
4-fluoro-3-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid
CID 63859708
3-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 107400276
3-[(2-amino-2-ethylbutanoyl)amino]-4-fluorobenzoic acid
CID 79810234
3-(3-ethylpentan-3-ylcarbamoylamino)-4-fluorobenzoic acid
CID 65042599
4-fluoro-3-[[methyl(oxan-4-yl)carbamoyl]amino]benzoic acid
CID 61203150
3-[3-(ethylamino)propanoylamino]-4-fluorobenzoic acid
CID 62833957
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 113229852
4-fluoro-3-(prop-2-ynylcarbamoylamino)benzoic acid
CID 61192584

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid?
The IUPAC name of 3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid (CID 61196363) is 3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid.
What is the SMILES notation for 3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid?
The canonical SMILES for 3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid is CCN(C)C(=O)Nc1cc(C(=O)O)ccc1F.
What is the InChIKey of 3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid?
The InChIKey is NFIKPCWYRDAFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-3-14(2)11(17)13-9-6-7(10(15)16)4-5-8(9)12/h4-6H,3H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid?
3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid has a molecular weight of 240.23 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid is sourced from PubChem (CID 61196363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).