N-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide

C18H18N2O3 — CID 95767473

IUPACN-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide
SMILESC[C@H]1C[C@@H](Nc2cccc(NC(=O)c3ccccc3)c2)C(=O)O1
InChIInChI=1S/C18H18N2O3/c1-12-10-16(18(22)23-12)19-14-8-5-9-15(11-14)20-17(21)13-6-3-2-4-7-13/h2-9,11-12,16,19H,10H2,1H3,(H,20,21)/t12-,16+/m0/s1
InChIKeyQPMVWQSKKAKOBT-BLLLJJGKSA-N
MW310.35 g/mol
LogP3.05
Rot. Bonds4

About N-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide

N-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide (PubChem CID 95767473) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide
PubChem CID95767473
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide
SMILESC[C@H]1C[C@@H](Nc2cccc(NC(=O)c3ccccc3)c2)C(=O)O1
InChIInChI=1S/C18H18N2O3/c1-12-10-16(18(22)23-12)19-14-8-5-9-15(11-14)20-17(21)13-6-3-2-4-7-13/h2-9,11-12,16,19H,10H2,1H3,(H,20,21)/t12-,16+/m0/s1
InChIKeyQPMVWQSKKAKOBT-BLLLJJGKSA-N
XLogP3.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
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N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
N-[3-[5-(anilinomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzamide
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N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide
CID 118734108
N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide
CID 86703337
N-[3-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]benzamide
CID 1216930
N-[3-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]benzamide
CID 23306487
N-[3-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]benzamide
CID 7117751
3,5-dibenzamido-N-phenylbenzamide
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N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide (CID 95767473) is N-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide is C[C@H]1C[C@@H](Nc2cccc(NC(=O)c3ccccc3)c2)C(=O)O1.
What is the InChIKey of N-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide?
The InChIKey is QPMVWQSKKAKOBT-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-10-16(18(22)23-12)19-14-8-5-9-15(11-14)20-17(21)13-6-3-2-4-7-13/h2-9,11-12,16,19H,10H2,1H3,(H,20,21)/t12-,16+/m0/s1.
What are the key properties of N-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide?
N-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide has a molecular weight of 310.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide is sourced from PubChem (CID 95767473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).