(2S,3R)-N,2,3-triphenylaziridine-1-carboxamide

C21H18N2O — CID 131874554

IUPAC(2S,3R)-N,2,3-triphenylaziridine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C21H18N2O/c24-21(22-18-14-8-3-9-15-18)23-19(16-10-4-1-5-11-16)20(23)17-12-6-2-7-13-17/h1-15,19-20H,(H,22,24)/t19-,20+,23?
InChIKeyPQGRFKNXONDCHL-DETIRCLXSA-N
MW314.39 g/mol
LogP5.02
Rot. Bonds3

About (2S,3R)-N,2,3-triphenylaziridine-1-carboxamide

(2S,3R)-N,2,3-triphenylaziridine-1-carboxamide (PubChem CID 131874554) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S,3R)-N,2,3-triphenylaziridine-1-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N,2,3-triphenylaziridine-1-carboxamide
PubChem CID131874554
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name(2S,3R)-N,2,3-triphenylaziridine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C21H18N2O/c24-21(22-18-14-8-3-9-15-18)23-19(16-10-4-1-5-11-16)20(23)17-12-6-2-7-13-17/h1-15,19-20H,(H,22,24)/t19-,20+,23?
InChIKeyPQGRFKNXONDCHL-DETIRCLXSA-N
XLogP5.02
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,2,3-triphenylaziridine-1-carboxamide?
The IUPAC name of (2S,3R)-N,2,3-triphenylaziridine-1-carboxamide (CID 131874554) is (2S,3R)-N,2,3-triphenylaziridine-1-carboxamide.
What is the SMILES notation for (2S,3R)-N,2,3-triphenylaziridine-1-carboxamide?
The canonical SMILES for (2S,3R)-N,2,3-triphenylaziridine-1-carboxamide is O=C(Nc1ccccc1)N1[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N,2,3-triphenylaziridine-1-carboxamide?
The InChIKey is PQGRFKNXONDCHL-DETIRCLXSA-N. The full InChI is InChI=1S/C21H18N2O/c24-21(22-18-14-8-3-9-15-18)23-19(16-10-4-1-5-11-16)20(23)17-12-6-2-7-13-17/h1-15,19-20H,(H,22,24)/t19-,20+,23?.
What are the key properties of (2S,3R)-N,2,3-triphenylaziridine-1-carboxamide?
(2S,3R)-N,2,3-triphenylaziridine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,2,3-triphenylaziridine-1-carboxamide is sourced from PubChem (CID 131874554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).