N-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide

C20H15N2O3- — CID 88807795

IUPACN-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide
SMILESO=C(Cc1ccccn1)c1ccccc1N([O-])C(=O)c1ccccc1
InChIInChI=1S/C20H15N2O3/c23-19(14-16-10-6-7-13-21-16)17-11-4-5-12-18(17)22(25)20(24)15-8-2-1-3-9-15/h1-13H,14H2/q-1
InChIKeyOHYQQQMRTCKEEG-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.65
Rot. Bonds5

About N-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide

N-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide (PubChem CID 88807795) has the molecular formula C20H15N2O3- and a molecular weight of 331.35 g/mol. Its IUPAC name is N-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide.

Molecular Properties

Compound NameN-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide
PubChem CID88807795
Molecular FormulaC20H15N2O3-
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC NameN-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide
SMILESO=C(Cc1ccccn1)c1ccccc1N([O-])C(=O)c1ccccc1
InChIInChI=1S/C20H15N2O3/c23-19(14-16-10-6-7-13-21-16)17-11-4-5-12-18(17)22(25)20(24)15-8-2-1-3-9-15/h1-13H,14H2/q-1
InChIKeyOHYQQQMRTCKEEG-UHFFFAOYSA-N
XLogP3.65
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
1-(2-iodophenyl)-2-pyridin-2-ylethanone
CID 43118474
CID 131857449
CID 131857449
N-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 12559708
1-isoquinolin-5-yl-2-pyridin-2-ylethanone
CID 62812997
3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 102234841
benzoic acid;pyridin-2-ylmethanamine
CID 174853038
N-(4-chlorobenzoyl)-N-[2-(pyridin-2-ylmethyl)phenyl]carbamothioate
CID 71431465
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
CID 116613912
1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone
CID 106861656
(3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid
CID 67240305
1-(3-propylphenyl)-2-pyridin-2-ylethanone
CID 116543105

Frequently Asked Questions

What is the IUPAC name of N-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide?
The IUPAC name of N-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide (CID 88807795) is N-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide.
What is the SMILES notation for N-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide?
The canonical SMILES for N-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide is O=C(Cc1ccccn1)c1ccccc1N([O-])C(=O)c1ccccc1.
What is the InChIKey of N-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide?
The InChIKey is OHYQQQMRTCKEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N2O3/c23-19(14-16-10-6-7-13-21-16)17-11-4-5-12-18(17)22(25)20(24)15-8-2-1-3-9-15/h1-13H,14H2/q-1.
What are the key properties of N-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide?
N-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide has a molecular weight of 331.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-[2-(2-pyridin-2-ylacetyl)phenyl]benzamide is sourced from PubChem (CID 88807795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).