N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide

C23H19NO4 — CID 17491004

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C23H19NO4/c25-22(17-6-2-1-3-7-17)18-8-4-5-9-19(18)23(26)24-13-12-16-10-11-20-21(14-16)28-15-27-20/h1-11,14H,12-13,15H2,(H,24,26)
InChIKeyGSTSSFJZRKARBN-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.62
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide (PubChem CID 17491004) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide
PubChem CID17491004
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C23H19NO4/c25-22(17-6-2-1-3-7-17)18-8-4-5-9-19(18)23(26)24-13-12-16-10-11-20-21(14-16)28-15-27-20/h1-11,14H,12-13,15H2,(H,24,26)
InChIKeyGSTSSFJZRKARBN-UHFFFAOYSA-N
XLogP3.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzoyl-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 177308540
N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide
CID 18117805
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide
CID 16574742
N-[1-[2-(1,3-benzodioxol-5-yl)ethylamino]-1-oxopropan-2-yl]benzamide
CID 18159582
N-[3-(1,3-benzodioxol-5-yl)propyl]-2-bromobenzamide
CID 110371214
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,2-triphenylacetamide
CID 11774905
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-bromo-2-fluorobenzamide
CID 18117976
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18117743
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39444927
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 38738978

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide (CID 17491004) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide is O=C(NCCc1ccc2c(c1)OCO2)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide?
The InChIKey is GSTSSFJZRKARBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c25-22(17-6-2-1-3-7-17)18-8-4-5-9-19(18)23(26)24-13-12-16-10-11-20-21(14-16)28-15-27-20/h1-11,14H,12-13,15H2,(H,24,26).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide has a molecular weight of 373.41 g/mol, XLogP of 3.62, 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]-2-benzoylbenzamide is sourced from PubChem (CID 17491004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).