2-(2-oxooxetan-3-yl)-4-phenylbenzamide

C16H13NO3 — CID 91097658

IUPAC2-(2-oxooxetan-3-yl)-4-phenylbenzamide
SMILESNC(=O)c1ccc(-c2ccccc2)cc1C1COC1=O
InChIInChI=1S/C16H13NO3/c17-15(18)12-7-6-11(10-4-2-1-3-5-10)8-13(12)14-9-20-16(14)19/h1-8,14H,9H2,(H2,17,18)
InChIKeyXLZWLZNJNXHUBJ-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.09
Rot. Bonds3

About 2-(2-oxooxetan-3-yl)-4-phenylbenzamide

2-(2-oxooxetan-3-yl)-4-phenylbenzamide (PubChem CID 91097658) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(2-oxooxetan-3-yl)-4-phenylbenzamide.

Molecular Properties

Compound Name2-(2-oxooxetan-3-yl)-4-phenylbenzamide
PubChem CID91097658
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-(2-oxooxetan-3-yl)-4-phenylbenzamide
SMILESNC(=O)c1ccc(-c2ccccc2)cc1C1COC1=O
InChIInChI=1S/C16H13NO3/c17-15(18)12-7-6-11(10-4-2-1-3-5-10)8-13(12)14-9-20-16(14)19/h1-8,14H,9H2,(H2,17,18)
InChIKeyXLZWLZNJNXHUBJ-UHFFFAOYSA-N
XLogP2.09
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-phenylbenzamide
CID 19349044
ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen
CID 143768800
2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]benzamide
CID 140712163
1-(2-cyclopentyl-4-phenylphenyl)ethanone
CID 134842938
2-chloro-4-phenylbenzoic acid
CID 21487426
4-(cyclopropanecarbonylamino)-2-[(4-phenylphenyl)methylamino]benzamide
CID 140992467
2-(benzenesulfonamido)-4-phenylbenzamide
CID 70022066
(5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 79014200
5-(4-phenylphenyl)-1H-indole-7-carboxamide
CID 11174416
3-phenylbenzamide;phosphoric acid
CID 130454344
5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide
CID 141114523
(2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate
CID 54281074

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxooxetan-3-yl)-4-phenylbenzamide?
The IUPAC name of 2-(2-oxooxetan-3-yl)-4-phenylbenzamide (CID 91097658) is 2-(2-oxooxetan-3-yl)-4-phenylbenzamide.
What is the SMILES notation for 2-(2-oxooxetan-3-yl)-4-phenylbenzamide?
The canonical SMILES for 2-(2-oxooxetan-3-yl)-4-phenylbenzamide is NC(=O)c1ccc(-c2ccccc2)cc1C1COC1=O.
What is the InChIKey of 2-(2-oxooxetan-3-yl)-4-phenylbenzamide?
The InChIKey is XLZWLZNJNXHUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c17-15(18)12-7-6-11(10-4-2-1-3-5-10)8-13(12)14-9-20-16(14)19/h1-8,14H,9H2,(H2,17,18).
What are the key properties of 2-(2-oxooxetan-3-yl)-4-phenylbenzamide?
2-(2-oxooxetan-3-yl)-4-phenylbenzamide has a molecular weight of 267.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxooxetan-3-yl)-4-phenylbenzamide is sourced from PubChem (CID 91097658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).