2-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-propylacetamide

C13H17FN2O3 — CID 55147844

IUPAC2-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1cc(F)ccc1/C(C)=N/O
InChIInChI=1S/C13H17FN2O3/c1-3-6-15-13(17)8-19-12-7-10(14)4-5-11(12)9(2)16-18/h4-5,7,18H,3,6,8H2,1-2H3,(H,15,17)/b16-9+
InChIKeyPECFQMMCMGNWPI-CXUHLZMHSA-N
MW268.29 g/mol
LogP1.93
Rot. Bonds6

About 2-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-propylacetamide

2-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-propylacetamide (PubChem CID 55147844) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-propylacetamide
PubChem CID55147844
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1cc(F)ccc1/C(C)=N/O
InChIInChI=1S/C13H17FN2O3/c1-3-6-15-13(17)8-19-12-7-10(14)4-5-11(12)9(2)16-18/h4-5,7,18H,3,6,8H2,1-2H3,(H,15,17)/b16-9+
InChIKeyPECFQMMCMGNWPI-CXUHLZMHSA-N
XLogP1.93
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-propylacetamide?
The IUPAC name of 2-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-propylacetamide (CID 55147844) is 2-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-propylacetamide is CCCNC(=O)COc1cc(F)ccc1/C(C)=N/O.
What is the InChIKey of 2-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-propylacetamide?
The InChIKey is PECFQMMCMGNWPI-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-3-6-15-13(17)8-19-12-7-10(14)4-5-11(12)9(2)16-18/h4-5,7,18H,3,6,8H2,1-2H3,(H,15,17)/b16-9+.
What are the key properties of 2-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-propylacetamide?
2-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-propylacetamide has a molecular weight of 268.29 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-propylacetamide is sourced from PubChem (CID 55147844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).