3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide

C11H11F2NO3 — CID 139503683

IUPAC3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide
SMILESC=Cc1c(O)c(F)cc(C(=O)N(C)OC)c1F
InChIInChI=1S/C11H11F2NO3/c1-4-6-9(13)7(5-8(12)10(6)15)11(16)14(2)17-3/h4-5,15H,1H2,2-3H3
InChIKeyLOEBNTXCBKQISB-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.95
Rot. Bonds3

About 3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide

3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide (PubChem CID 139503683) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is 3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide
PubChem CID139503683
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide
SMILESC=Cc1c(O)c(F)cc(C(=O)N(C)OC)c1F
InChIInChI=1S/C11H11F2NO3/c1-4-6-9(13)7(5-8(12)10(6)15)11(16)14(2)17-3/h4-5,15H,1H2,2-3H3
InChIKeyLOEBNTXCBKQISB-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-methoxy-N,2,4-trimethylbenzamide
CID 89047148
N-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide
CID 158345868
2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide
CID 155681438
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
CID 103295990
2,3-dihydroxy-N-methoxy-N-methylbenzamide
CID 114344880
2-amino-4-fluoro-N-methoxy-N-methylbenzamide
CID 63110530
3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide
CID 145439185
4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide
CID 171366673
(E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide
CID 75480899
chloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine
CID 161442585
3-amino-2-hydroxy-N-methoxy-N-methylbenzamide
CID 58735961
2-hydroxy-4-iodo-N-methoxy-N-methylbenzamide
CID 135067027

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide?
The IUPAC name of 3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide (CID 139503683) is 3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide?
The canonical SMILES for 3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide is C=Cc1c(O)c(F)cc(C(=O)N(C)OC)c1F.
What is the InChIKey of 3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide?
The InChIKey is LOEBNTXCBKQISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-4-6-9(13)7(5-8(12)10(6)15)11(16)14(2)17-3/h4-5,15H,1H2,2-3H3.
What are the key properties of 3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide?
3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide has a molecular weight of 243.21 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 139503683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).