N-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide

C18H17NO4 — CID 10781321

IUPACN-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1[C@H]1CC(=O)[C@H](CO)O1)c1ccccc1
InChIInChI=1S/C18H17NO4/c20-11-17-15(21)10-16(23-17)13-8-4-5-9-14(13)19-18(22)12-6-2-1-3-7-12/h1-9,16-17,20H,10-11H2,(H,19,22)/t16-,17+/m1/s1
InChIKeyICRXUVRCAXPHLX-SJORKVTESA-N
MW311.34 g/mol
LogP2.33
Rot. Bonds4

About N-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide

N-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide (PubChem CID 10781321) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide
PubChem CID10781321
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC NameN-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1[C@H]1CC(=O)[C@H](CO)O1)c1ccccc1
InChIInChI=1S/C18H17NO4/c20-11-17-15(21)10-16(23-17)13-8-4-5-9-14(13)19-18(22)12-6-2-1-3-7-12/h1-9,16-17,20H,10-11H2,(H,19,22)/t16-,17+/m1/s1
InChIKeyICRXUVRCAXPHLX-SJORKVTESA-N
XLogP2.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide?
The IUPAC name of N-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide (CID 10781321) is N-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide?
The canonical SMILES for N-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide is O=C(Nc1ccccc1[C@H]1CC(=O)[C@H](CO)O1)c1ccccc1.
What is the InChIKey of N-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide?
The InChIKey is ICRXUVRCAXPHLX-SJORKVTESA-N. The full InChI is InChI=1S/C18H17NO4/c20-11-17-15(21)10-16(23-17)13-8-4-5-9-14(13)19-18(22)12-6-2-1-3-7-12/h1-9,16-17,20H,10-11H2,(H,19,22)/t16-,17+/m1/s1.
What are the key properties of N-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide?
N-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide has a molecular weight of 311.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide is sourced from PubChem (CID 10781321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).