2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid

C12H15FN2O4 — CID 55061089

IUPAC2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
SMILESCC(O)CN(C)C(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C12H15FN2O4/c1-7(16)6-15(2)12(19)14-8-3-4-10(13)9(5-8)11(17)18/h3-5,7,16H,6H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyYWRSUYFYNZVXCP-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.37
Rot. Bonds4

About 2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid

2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid (PubChem CID 55061089) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
PubChem CID55061089
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
SMILESCC(O)CN(C)C(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C12H15FN2O4/c1-7(16)6-15(2)12(19)14-8-3-4-10(13)9(5-8)11(17)18/h3-5,7,16H,6H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyYWRSUYFYNZVXCP-UHFFFAOYSA-N
XLogP1.37
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[[methyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 61183194
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-fluorobenzoic acid
CID 61198437
5-[[butan-2-yl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 61196807
3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea
CID 27209701
2-fluoro-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 61193998
2-bromo-5-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 115296696
4-chloro-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 62335862
5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 61201200
2-fluoro-4-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]benzoic acid
CID 107796183
4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 107793055
2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 63653370
1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 62333331

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid (CID 55061089) is 2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid is CC(O)CN(C)C(=O)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid?
The InChIKey is YWRSUYFYNZVXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-7(16)6-15(2)12(19)14-8-3-4-10(13)9(5-8)11(17)18/h3-5,7,16H,6H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid?
2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid has a molecular weight of 270.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 55061089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).