N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide

C15H11F2NO3 — CID 4280921

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(F)cc1F
InChIInChI=1S/C15H11F2NO3/c16-10-2-3-11(12(17)6-10)15(19)18-7-9-1-4-13-14(5-9)21-8-20-13/h1-6H,7-8H2,(H,18,19)
InChIKeyQIDJWJBXRKZCJR-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.62
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide

N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide (PubChem CID 4280921) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide
PubChem CID4280921
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(F)cc1F
InChIInChI=1S/C15H11F2NO3/c16-10-2-3-11(12(17)6-10)15(19)18-7-9-1-4-13-14(5-9)21-8-20-13/h1-6H,7-8H2,(H,18,19)
InChIKeyQIDJWJBXRKZCJR-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 51192543
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
N-(1,3-benzodioxol-5-ylmethyl)-2-fluoro-5-sulfanylbenzamide
CID 107028818
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichlorobenzamide
CID 673796
N-(1,3-benzodioxol-5-ylmethyl)-6-fluoro-2-methylquinoline-3-carboxamide
CID 4732120
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-7-fluoroquinoline-3-carboxamide
CID 110299120
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide
CID 108998869
N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide
CID 509772
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300
N-(1,3-benzodioxol-5-ylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide
CID 172905448
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 27555557
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975780

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide (CID 4280921) is N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide is O=C(NCc1ccc2c(c1)OCO2)c1ccc(F)cc1F.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide?
The InChIKey is QIDJWJBXRKZCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c16-10-2-3-11(12(17)6-10)15(19)18-7-9-1-4-13-14(5-9)21-8-20-13/h1-6H,7-8H2,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide has a molecular weight of 291.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide is sourced from PubChem (CID 4280921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).