N-(cyclohexylmethyl)-6-fluoro-4H-1,3-benzodioxine-8-carboxamide

C16H20FNO3 — CID 68649183

IUPACN-(cyclohexylmethyl)-6-fluoro-4H-1,3-benzodioxine-8-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc(F)cc2c1OCOC2
InChIInChI=1S/C16H20FNO3/c17-13-6-12-9-20-10-21-15(12)14(7-13)16(19)18-8-11-4-2-1-3-5-11/h6-7,11H,1-5,8-10H2,(H,18,19)
InChIKeyXUNAUQBLANIDQP-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.00
Rot. Bonds3

About N-(cyclohexylmethyl)-6-fluoro-4H-1,3-benzodioxine-8-carboxamide

N-(cyclohexylmethyl)-6-fluoro-4H-1,3-benzodioxine-8-carboxamide (PubChem CID 68649183) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-fluoro-4H-1,3-benzodioxine-8-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-fluoro-4H-1,3-benzodioxine-8-carboxamide
PubChem CID68649183
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC NameN-(cyclohexylmethyl)-6-fluoro-4H-1,3-benzodioxine-8-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc(F)cc2c1OCOC2
InChIInChI=1S/C16H20FNO3/c17-13-6-12-9-20-10-21-15(12)14(7-13)16(19)18-8-11-4-2-1-3-5-11/h6-7,11H,1-5,8-10H2,(H,18,19)
InChIKeyXUNAUQBLANIDQP-UHFFFAOYSA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-fluoro-4H-1,3-benzodioxine-8-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-6-fluoro-4H-1,3-benzodioxine-8-carboxamide (CID 68649183) is N-(cyclohexylmethyl)-6-fluoro-4H-1,3-benzodioxine-8-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-6-fluoro-4H-1,3-benzodioxine-8-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-6-fluoro-4H-1,3-benzodioxine-8-carboxamide is O=C(NCC1CCCCC1)c1cc(F)cc2c1OCOC2.
What is the InChIKey of N-(cyclohexylmethyl)-6-fluoro-4H-1,3-benzodioxine-8-carboxamide?
The InChIKey is XUNAUQBLANIDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-13-6-12-9-20-10-21-15(12)14(7-13)16(19)18-8-11-4-2-1-3-5-11/h6-7,11H,1-5,8-10H2,(H,18,19).
What are the key properties of N-(cyclohexylmethyl)-6-fluoro-4H-1,3-benzodioxine-8-carboxamide?
N-(cyclohexylmethyl)-6-fluoro-4H-1,3-benzodioxine-8-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6-fluoro-4H-1,3-benzodioxine-8-carboxamide is sourced from PubChem (CID 68649183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).