4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide

C17H15F2NO5 — CID 1000603

IUPAC4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(F)F
InChIInChI=1S/C17H15F2NO5/c1-22-14-8-10(2-4-13(14)25-17(18)19)16(21)20-11-3-5-12-15(9-11)24-7-6-23-12/h2-5,8-9,17H,6-7H2,1H3,(H,20,21)
InChIKeyAEROOYZJSKUMMV-UHFFFAOYSA-N
MW351.31 g/mol
LogP3.32
Rot. Bonds5

About 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide

4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide (PubChem CID 1000603) has the molecular formula C17H15F2NO5 and a molecular weight of 351.31 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide
PubChem CID1000603
Molecular FormulaC17H15F2NO5
Molecular Weight351.31 g/mol
Exact Mass351.09
IUPAC Name4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(F)F
InChIInChI=1S/C17H15F2NO5/c1-22-14-8-10(2-4-13(14)25-17(18)19)16(21)20-11-3-5-12-15(9-11)24-7-6-23-12/h2-5,8-9,17H,6-7H2,1H3,(H,20,21)
InChIKeyAEROOYZJSKUMMV-UHFFFAOYSA-N
XLogP3.32
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2980923
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18226804
[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 18777281
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26499038
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2162099
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 16503485
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9401144
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201
N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7934883
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide (CID 1000603) is 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide?
The InChIKey is AEROOYZJSKUMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO5/c1-22-14-8-10(2-4-13(14)25-17(18)19)16(21)20-11-3-5-12-15(9-11)24-7-6-23-12/h2-5,8-9,17H,6-7H2,1H3,(H,20,21).
What are the key properties of 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide?
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide has a molecular weight of 351.31 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide is sourced from PubChem (CID 1000603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).