N-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide

C16H13F2NO4 — CID 2623503

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H13F2NO4/c17-16(18)23-12-4-2-11(3-5-12)15(20)19-8-10-1-6-13-14(7-10)22-9-21-13/h1-7,16H,8-9H2,(H,19,20)
InChIKeyJIUSJZKTJWJHGF-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.95
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide

N-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide (PubChem CID 2623503) has the molecular formula C16H13F2NO4 and a molecular weight of 321.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide
PubChem CID2623503
Molecular FormulaC16H13F2NO4
Molecular Weight321.28 g/mol
Exact Mass321.08
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H13F2NO4/c17-16(18)23-12-4-2-11(3-5-12)15(20)19-8-10-1-6-13-14(7-10)22-9-21-13/h1-7,16H,8-9H2,(H,19,20)
InChIKeyJIUSJZKTJWJHGF-UHFFFAOYSA-N
XLogP2.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 18117689
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 43002109
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55741471
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide
CID 2811298
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
N-(1,3-benzodioxol-5-ylmethyl)-4-nitrobenzamide
CID 758504
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047465
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
CID 776037
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propanoylphenoxy)propanamide
CID 8604764

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide (CID 2623503) is N-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide is O=C(NCc1ccc2c(c1)OCO2)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide?
The InChIKey is JIUSJZKTJWJHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO4/c17-16(18)23-12-4-2-11(3-5-12)15(20)19-8-10-1-6-13-14(7-10)22-9-21-13/h1-7,16H,8-9H2,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide has a molecular weight of 321.28 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 2623503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).