N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide

C15H10ClF2NO3 — CID 39820893

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(F)c(F)c1
InChIInChI=1S/C15H10ClF2NO3/c16-9-6-13-14(22-4-3-21-13)7-12(9)19-15(20)8-1-2-10(17)11(18)5-8/h1-2,5-7H,3-4H2,(H,19,20)
InChIKeyYNGRDMXPDBAROT-UHFFFAOYSA-N
MW325.70 g/mol
LogP3.64
Rot. Bonds2

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide (PubChem CID 39820893) has the molecular formula C15H10ClF2NO3 and a molecular weight of 325.70 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide
PubChem CID39820893
Molecular FormulaC15H10ClF2NO3
Molecular Weight325.70 g/mol
Exact Mass325.03
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(F)c(F)c1
InChIInChI=1S/C15H10ClF2NO3/c16-9-6-13-14(22-4-3-21-13)7-12(9)19-15(20)8-1-2-10(17)11(18)5-8/h1-2,5-7H,3-4H2,(H,19,20)
InChIKeyYNGRDMXPDBAROT-UHFFFAOYSA-N
XLogP3.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26364276
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-iodobenzamide
CID 34271644
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylsulfinylbenzamide
CID 51278846
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 34272039
N-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide
CID 39821289
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-benzothiazole-6-carboxamide
CID 24556549
N-(2-acetamido-4,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 47093191
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide
CID 115497158
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
N-(6-chloro-1,3-benzodioxol-5-yl)-4-iodobenzamide
CID 39728188

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide (CID 39820893) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide is O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(F)c(F)c1.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide?
The InChIKey is YNGRDMXPDBAROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO3/c16-9-6-13-14(22-4-3-21-13)7-12(9)19-15(20)8-1-2-10(17)11(18)5-8/h1-2,5-7H,3-4H2,(H,19,20).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide has a molecular weight of 325.70 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide is sourced from PubChem (CID 39820893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).