3-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-N-phenylbenzamide

C19H16N2O3 — CID 75363694

IUPAC3-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(COc2cccc[n+]2[O-])c1
InChIInChI=1S/C19H16N2O3/c22-19(20-17-9-2-1-3-10-17)16-8-6-7-15(13-16)14-24-18-11-4-5-12-21(18)23/h1-13H,14H2,(H,20,22)
InChIKeyIEWOWRHFTNOVER-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.15
Rot. Bonds5

About 3-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-N-phenylbenzamide

3-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-N-phenylbenzamide (PubChem CID 75363694) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-N-phenylbenzamide
PubChem CID75363694
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(COc2cccc[n+]2[O-])c1
InChIInChI=1S/C19H16N2O3/c22-19(20-17-9-2-1-3-10-17)16-8-6-7-15(13-16)14-24-18-11-4-5-12-21(18)23/h1-13H,14H2,(H,20,22)
InChIKeyIEWOWRHFTNOVER-UHFFFAOYSA-N
XLogP3.15
TPSA65.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
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N-phenyl-3-(2-phenylacetyl)benzamide
CID 162068879
N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide
CID 102461442
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
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CID 135564193

Frequently Asked Questions

What is the IUPAC name of 3-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-N-phenylbenzamide?
The IUPAC name of 3-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-N-phenylbenzamide (CID 75363694) is 3-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-N-phenylbenzamide?
The canonical SMILES for 3-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc(COc2cccc[n+]2[O-])c1.
What is the InChIKey of 3-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-N-phenylbenzamide?
The InChIKey is IEWOWRHFTNOVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-19(20-17-9-2-1-3-10-17)16-8-6-7-15(13-16)14-24-18-11-4-5-12-21(18)23/h1-13H,14H2,(H,20,22).
What are the key properties of 3-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-N-phenylbenzamide?
3-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-N-phenylbenzamide has a molecular weight of 320.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-oxidopyridin-1-ium-2-yl)oxymethyl]-N-phenylbenzamide is sourced from PubChem (CID 75363694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).