N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide

C15H12FNO3 — CID 674890

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccccc1F
InChIInChI=1S/C15H12FNO3/c16-12-4-2-1-3-11(12)15(18)17-8-10-5-6-13-14(7-10)20-9-19-13/h1-7H,8-9H2,(H,17,18)
InChIKeyVNHUPIKJHRVQCM-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.48
Rot. Bonds3

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

N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide (PubChem CID 674890) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
PubChem CID674890
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccccc1F
InChIInChI=1S/C15H12FNO3/c16-12-4-2-1-3-11(12)15(18)17-8-10-5-6-13-14(7-10)20-9-19-13/h1-7H,8-9H2,(H,17,18)
InChIKeyVNHUPIKJHRVQCM-UHFFFAOYSA-N
XLogP2.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)phenyl]-2-fluorobenzamide
CID 15955548
N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide
CID 4280921
N-(1,3-benzodioxol-5-ylmethyl)-2-fluoro-5-sulfanylbenzamide
CID 107028818
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 55446764
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichlorobenzamide
CID 673796
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109120467
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-(trifluoromethyl)benzamide
CID 2456782
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 78786604
2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135882
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109258219
N-(1,3-benzodioxol-5-ylmethyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 8873846
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3,4,5-tetrafluorobenzamide
CID 112794847

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide (CID 674890) is N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide is O=C(NCc1ccc2c(c1)OCO2)c1ccccc1F.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide?
The InChIKey is VNHUPIKJHRVQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-12-4-2-1-3-11(12)15(18)17-8-10-5-6-13-14(7-10)20-9-19-13/h1-7H,8-9H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide has a molecular weight of 273.26 g/mol, XLogP of 2.48, 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-fluorobenzamide is sourced from PubChem (CID 674890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).