5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid

C11H14F2N2O5 — CID 107481821

IUPAC5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)N(CCO)CC(F)F)o1
InChIInChI=1S/C11H14F2N2O5/c12-9(13)6-15(3-4-16)11(19)14-5-7-1-2-8(20-7)10(17)18/h1-2,9,16H,3-6H2,(H,14,19)(H,17,18)
InChIKeyIWVVKCHTUXCLFB-UHFFFAOYSA-N
MW292.24 g/mol
LogP0.75
Rot. Bonds7

About 5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid

5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 107481821) has the molecular formula C11H14F2N2O5 and a molecular weight of 292.24 g/mol. Its IUPAC name is 5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid
PubChem CID107481821
Molecular FormulaC11H14F2N2O5
Molecular Weight292.24 g/mol
Exact Mass292.09
IUPAC Name5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)N(CCO)CC(F)F)o1
InChIInChI=1S/C11H14F2N2O5/c12-9(13)6-15(3-4-16)11(19)14-5-7-1-2-8(20-7)10(17)18/h1-2,9,16H,3-6H2,(H,14,19)(H,17,18)
InChIKeyIWVVKCHTUXCLFB-UHFFFAOYSA-N
XLogP0.75
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide
CID 107477915
5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 121499054
5-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)methyl]furan-2-carboxylic acid
CID 119245819
5-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 107481732
5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246000
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
CID 119245773
N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
CID 107482734
5-[[4-(4-methylphenyl)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245690
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide
CID 107477906
5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 82741959
2-[3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]phenyl]acetic acid
CID 107481817
5-[[3-(4-ethylphenyl)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246024

Frequently Asked Questions

What is the IUPAC name of 5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid (CID 107481821) is 5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)N(CCO)CC(F)F)o1.
What is the InChIKey of 5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is IWVVKCHTUXCLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O5/c12-9(13)6-15(3-4-16)11(19)14-5-7-1-2-8(20-7)10(17)18/h1-2,9,16H,3-6H2,(H,14,19)(H,17,18).
What are the key properties of 5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 292.24 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 107481821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).