N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C21H16F2N2O3 — CID 55890519

IUPACN-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(C1COc2ccccc2O1)N(Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C21H16F2N2O3/c22-14-8-9-17(16(23)11-14)25(12-15-5-3-4-10-24-15)21(26)20-13-27-18-6-1-2-7-19(18)28-20/h1-11,20H,12-13H2
InChIKeyVEMXOZUWTKJGJR-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.73
Rot. Bonds4

About N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 55890519) has the molecular formula C21H16F2N2O3 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID55890519
Molecular FormulaC21H16F2N2O3
Molecular Weight382.37 g/mol
Exact Mass382.11
IUPAC NameN-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(C1COc2ccccc2O1)N(Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C21H16F2N2O3/c22-14-8-9-17(16(23)11-14)25(12-15-5-3-4-10-24-15)21(26)20-13-27-18-6-1-2-7-19(18)28-20/h1-11,20H,12-13H2
InChIKeyVEMXOZUWTKJGJR-UHFFFAOYSA-N
XLogP3.73
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42778763
1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 47063538
N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 52992580
5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 55890396
2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55888858
3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 56527894
N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 55890007
2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone
CID 43338535
(3R)-N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9094456
N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 55890261
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43987341
5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 55889236

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 55890519) is N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(C1COc2ccccc2O1)N(Cc1ccccn1)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is VEMXOZUWTKJGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O3/c22-14-8-9-17(16(23)11-14)25(12-15-5-3-4-10-24-15)21(26)20-13-27-18-6-1-2-7-19(18)28-20/h1-11,20H,12-13H2.
What are the key properties of N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 55890519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).