4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid

C11H13FN2O3 — CID 107793055

IUPAC4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
SMILESCCN(C)C(=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C11H13FN2O3/c1-3-14(2)11(17)13-7-4-5-8(10(15)16)9(12)6-7/h4-6H,3H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyJJADKWPFWOEQLJ-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.01
Rot. Bonds3

About 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid

4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid (PubChem CID 107793055) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
PubChem CID107793055
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
SMILESCCN(C)C(=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C11H13FN2O3/c1-3-14(2)11(17)13-7-4-5-8(10(15)16)9(12)6-7/h4-6H,3H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyJJADKWPFWOEQLJ-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

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Related Compounds

methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate
CID 71969096
2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid
CID 107795694
2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid
CID 107796472
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-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653015
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
3-(3-carbamothioyl-4-fluorophenyl)-1-ethyl-1-methylurea
CID 79160236
3-(3-cyano-4-fluorophenyl)-1-ethyl-1-methylurea
CID 78925778
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid?
The IUPAC name of 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid (CID 107793055) is 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid?
The canonical SMILES for 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid is CCN(C)C(=O)Nc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid?
The InChIKey is JJADKWPFWOEQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-3-14(2)11(17)13-7-4-5-8(10(15)16)9(12)6-7/h4-6H,3H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid?
4-[[ethyl(methyl)carbamoyl]amino]-2-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 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid is sourced from PubChem (CID 107793055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).