N-[(3S)-2-oxooxetan-3-yl]-4-phenylbenzamide

C16H13NO3 — CID 46899632

IUPACN-[(3S)-2-oxooxetan-3-yl]-4-phenylbenzamide
SMILESO=C(N[C@H]1COC1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H13NO3/c18-15(17-14-10-20-16(14)19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1
InChIKeyPGKVFBCLXQUHRC-AWEZNQCLSA-N
MW267.28 g/mol
LogP2.01
Rot. Bonds3

About N-[(3S)-2-oxooxetan-3-yl]-4-phenylbenzamide

N-[(3S)-2-oxooxetan-3-yl]-4-phenylbenzamide (PubChem CID 46899632) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[(3S)-2-oxooxetan-3-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxetan-3-yl]-4-phenylbenzamide
PubChem CID46899632
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC NameN-[(3S)-2-oxooxetan-3-yl]-4-phenylbenzamide
SMILESO=C(N[C@H]1COC1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H13NO3/c18-15(17-14-10-20-16(14)19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1
InChIKeyPGKVFBCLXQUHRC-AWEZNQCLSA-N
XLogP2.01
TPSA55.40 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 ≤ 52.01
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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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxetan-3-yl]-4-phenylbenzamide?
The IUPAC name of N-[(3S)-2-oxooxetan-3-yl]-4-phenylbenzamide (CID 46899632) is N-[(3S)-2-oxooxetan-3-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[(3S)-2-oxooxetan-3-yl]-4-phenylbenzamide?
The canonical SMILES for N-[(3S)-2-oxooxetan-3-yl]-4-phenylbenzamide is O=C(N[C@H]1COC1=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(3S)-2-oxooxetan-3-yl]-4-phenylbenzamide?
The InChIKey is PGKVFBCLXQUHRC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13NO3/c18-15(17-14-10-20-16(14)19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxetan-3-yl]-4-phenylbenzamide?
N-[(3S)-2-oxooxetan-3-yl]-4-phenylbenzamide has a molecular weight of 267.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxetan-3-yl]-4-phenylbenzamide is sourced from PubChem (CID 46899632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).