methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate

C12H15FN2O3 — CID 71969096

IUPACmethyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate
SMILESCCN(C)C(=O)Nc1ccc(C(=O)OC)c(F)c1
InChIInChI=1S/C12H15FN2O3/c1-4-15(2)12(17)14-8-5-6-9(10(13)7-8)11(16)18-3/h5-7H,4H2,1-3H3,(H,14,17)
InChIKeyHQAAAYDAOCFPTD-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.10
Rot. Bonds3

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

methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate (PubChem CID 71969096) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate
PubChem CID71969096
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Namemethyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate
SMILESCCN(C)C(=O)Nc1ccc(C(=O)OC)c(F)c1
InChIInChI=1S/C12H15FN2O3/c1-4-15(2)12(17)14-8-5-6-9(10(13)7-8)11(16)18-3/h5-7H,4H2,1-3H3,(H,14,17)
InChIKeyHQAAAYDAOCFPTD-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 107793055
methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate
CID 71917452
2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid
CID 107795694
3-(3-cyano-4-fluorophenyl)-1-ethyl-1-methylurea
CID 78925778
methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate
CID 78916676
3-(3-carbamothioyl-4-fluorophenyl)-1-ethyl-1-methylurea
CID 79160236
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
2-fluoro-4-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]benzoic acid
CID 107796183
methyl 2-fluoro-4-[2-(methylamino)ethylamino]benzoate
CID 163518462
methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate
CID 78916667
2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid
CID 107796472
5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653015

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate?
The IUPAC name of methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate (CID 71969096) is methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate.
What is the SMILES notation for methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate?
The canonical SMILES for methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate is CCN(C)C(=O)Nc1ccc(C(=O)OC)c(F)c1.
What is the InChIKey of methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate?
The InChIKey is HQAAAYDAOCFPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-4-15(2)12(17)14-8-5-6-9(10(13)7-8)11(16)18-3/h5-7H,4H2,1-3H3,(H,14,17).
What are the key properties of methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate?
methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate has a molecular weight of 254.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate is sourced from PubChem (CID 71969096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).