N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C16H13F2NO3 — CID 110763750

IUPACN-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cc2c(cc1C(=O)Nc1ccc(F)cc1F)OCCO2
InChIInChI=1S/C16H13F2NO3/c1-9-6-14-15(22-5-4-21-14)8-11(9)16(20)19-13-3-2-10(17)7-12(13)18/h2-3,6-8H,4-5H2,1H3,(H,19,20)
InChIKeyUVUZSWSDKLDFHP-UHFFFAOYSA-N
MW305.28 g/mol
LogP3.30
Rot. Bonds2

About N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 110763750) has the molecular formula C16H13F2NO3 and a molecular weight of 305.28 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID110763750
Molecular FormulaC16H13F2NO3
Molecular Weight305.28 g/mol
Exact Mass305.09
IUPAC NameN-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cc2c(cc1C(=O)Nc1ccc(F)cc1F)OCCO2
InChIInChI=1S/C16H13F2NO3/c1-9-6-14-15(22-5-4-21-14)8-11(9)16(20)19-13-3-2-10(17)7-12(13)18/h2-3,6-8H,4-5H2,1H3,(H,19,20)
InChIKeyUVUZSWSDKLDFHP-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17396941
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 155977100
N-[4-(dimethylamino)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763741
N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109200752
N-(2,4-difluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941207
3-amino-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 16784210
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26364276
N-(2,4-difluorophenyl)-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295940

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 110763750) is N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1cc2c(cc1C(=O)Nc1ccc(F)cc1F)OCCO2.
What is the InChIKey of N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is UVUZSWSDKLDFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3/c1-9-6-14-15(22-5-4-21-14)8-11(9)16(20)19-13-3-2-10(17)7-12(13)18/h2-3,6-8H,4-5H2,1H3,(H,19,20).
What are the key properties of N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 305.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 110763750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).