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

C16H12ClF2NO4 — CID 24556582

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCO2)c1ccccc1OC(F)F
InChIInChI=1S/C16H12ClF2NO4/c17-10-7-13-14(23-6-5-22-13)8-11(10)20-15(21)9-3-1-2-4-12(9)24-16(18)19/h1-4,7-8,16H,5-6H2,(H,20,21)
InChIKeyMEHJLOXOQRHKOM-UHFFFAOYSA-N
MW355.72 g/mol
LogP3.96
Rot. Bonds4

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

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide (PubChem CID 24556582) has the molecular formula C16H12ClF2NO4 and a molecular weight of 355.72 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide
PubChem CID24556582
Molecular FormulaC16H12ClF2NO4
Molecular Weight355.72 g/mol
Exact Mass355.04
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCO2)c1ccccc1OC(F)F
InChIInChI=1S/C16H12ClF2NO4/c17-10-7-13-14(23-6-5-22-13)8-11(10)20-15(21)9-3-1-2-4-12(9)24-16(18)19/h1-4,7-8,16H,5-6H2,(H,20,21)
InChIKeyMEHJLOXOQRHKOM-UHFFFAOYSA-N
XLogP3.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.72
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide
CID 31906832
2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 37223693
N-(2-bromo-5-chlorophenyl)-2-(difluoromethoxy)benzamide
CID 81260760
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide
CID 39820182
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 39821310
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide
CID 115497158
N-(4-bromo-2-fluorophenyl)-2-(difluoromethoxy)benzamide
CID 26362983
2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide
CID 115540029
(E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16597702
N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
CID 17394633
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide
CID 39820893
2-chloro-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide
CID 5099106

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide (CID 24556582) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide is O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccccc1OC(F)F.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide?
The InChIKey is MEHJLOXOQRHKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2NO4/c17-10-7-13-14(23-6-5-22-13)8-11(10)20-15(21)9-3-1-2-4-12(9)24-16(18)19/h1-4,7-8,16H,5-6H2,(H,20,21).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide has a molecular weight of 355.72 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 24556582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).