N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide

C17H15F2NO4 — CID 18117689

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F2NO4/c18-17(19)24-13-4-2-12(3-5-13)16(21)20-8-7-11-1-6-14-15(9-11)23-10-22-14/h1-6,9,17H,7-8,10H2,(H,20,21)
InChIKeyRMSGWRCUUSWIJU-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.99
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide (PubChem CID 18117689) has the molecular formula C17H15F2NO4 and a molecular weight of 335.31 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide
PubChem CID18117689
Molecular FormulaC17H15F2NO4
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F2NO4/c18-17(19)24-13-4-2-12(3-5-13)16(21)20-8-7-11-1-6-14-15(9-11)23-10-22-14/h1-6,9,17H,7-8,10H2,(H,20,21)
InChIKeyRMSGWRCUUSWIJU-UHFFFAOYSA-N
XLogP2.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide
CID 2623503
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 46613009
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 9201386
4-(difluoromethoxy)-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 78796652
N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 43002109
N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide
CID 18117805
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-fluorobenzamide
CID 2677541
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 26120167
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55741471
3-(1,3-benzodioxol-5-yl)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]propanamide
CID 42948379

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide (CID 18117689) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide is O=C(NCCc1ccc2c(c1)OCO2)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide?
The InChIKey is RMSGWRCUUSWIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO4/c18-17(19)24-13-4-2-12(3-5-13)16(21)20-8-7-11-1-6-14-15(9-11)23-10-22-14/h1-6,9,17H,7-8,10H2,(H,20,21).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide has a molecular weight of 335.31 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 18117689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).