N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide

C17H14N2O3 — CID 6552956

IUPACN-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide
SMILES[H]/N=C1\C(=O)OC[C@H]1c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C17H14N2O3/c18-15-13(10-22-17(15)21)12-8-4-5-9-14(12)19-16(20)11-6-2-1-3-7-11/h1-9,13,18H,10H2,(H,19,20)/b18-15-/t13-/m0/s1
InChIKeyRPZHHRSIFPIGGO-VLFBTDHHSA-N
MW294.31 g/mol
LogP2.60
Rot. Bonds3

About N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide

N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide (PubChem CID 6552956) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide
PubChem CID6552956
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide
SMILES[H]/N=C1\C(=O)OC[C@H]1c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C17H14N2O3/c18-15-13(10-22-17(15)21)12-8-4-5-9-14(12)19-16(20)11-6-2-1-3-7-11/h1-9,13,18H,10H2,(H,19,20)/b18-15-/t13-/m0/s1
InChIKeyRPZHHRSIFPIGGO-VLFBTDHHSA-N
XLogP2.60
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]-5-methoxyphenyl]benzamide
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CID 71206970
N-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide
CID 10781321
N-[2-(methylamino)phenyl]benzamide
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N-[2-(cyclopropylmethyl)phenyl]benzamide
CID 91703615
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N-(5,9-dibenzamidotriphenylen-1-yl)benzamide
CID 141408236
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
2-benzamidobenzamide
CID 702115
N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
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2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide?
The IUPAC name of N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide (CID 6552956) is N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide.
What is the SMILES notation for N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide?
The canonical SMILES for N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide is [H]/N=C1\C(=O)OC[C@H]1c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide?
The InChIKey is RPZHHRSIFPIGGO-VLFBTDHHSA-N. The full InChI is InChI=1S/C17H14N2O3/c18-15-13(10-22-17(15)21)12-8-4-5-9-14(12)19-16(20)11-6-2-1-3-7-11/h1-9,13,18H,10H2,(H,19,20)/b18-15-/t13-/m0/s1.
What are the key properties of N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide?
N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide has a molecular weight of 294.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide is sourced from PubChem (CID 6552956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).