2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid

C12H13FN2O5 — CID 107795694

IUPAC2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid
SMILESCOC(=O)CN(C)C(=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C12H13FN2O5/c1-15(6-10(16)20-2)12(19)14-7-3-4-8(11(17)18)9(13)5-7/h3-5H,6H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyQVHPIRWIGUHXRA-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.16
Rot. Bonds4

About 2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid

2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid (PubChem CID 107795694) has the molecular formula C12H13FN2O5 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid
PubChem CID107795694
Molecular FormulaC12H13FN2O5
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid
SMILESCOC(=O)CN(C)C(=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C12H13FN2O5/c1-15(6-10(16)20-2)12(19)14-7-3-4-8(11(17)18)9(13)5-7/h3-5H,6H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyQVHPIRWIGUHXRA-UHFFFAOYSA-N
XLogP1.16
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid
CID 107796472
4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 107793055
2-fluoro-4-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]benzoic acid
CID 107796183
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
methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate
CID 71969096
2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 114002321
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-fluorobenzoic acid
CID 61198437
5-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylbenzoic acid
CID 63653548
2-fluoro-4-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]benzoic acid
CID 107796316
2-fluoro-4-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]benzoic acid
CID 107796209
methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate
CID 71917452

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid?
The IUPAC name of 2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid (CID 107795694) is 2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid is COC(=O)CN(C)C(=O)Nc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid?
The InChIKey is QVHPIRWIGUHXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O5/c1-15(6-10(16)20-2)12(19)14-7-3-4-8(11(17)18)9(13)5-7/h3-5H,6H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid?
2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid has a molecular weight of 284.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid is sourced from PubChem (CID 107795694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).