(2S)-3,3-diphenylpyrrolidine-2-carboxamide

C17H18N2O — CID 67922087

IUPAC(2S)-3,3-diphenylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1NCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O/c18-16(20)15-17(11-12-19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,19H,11-12H2,(H2,18,20)/t15-/m1/s1
InChIKeyJUNQEKZYWVMMRU-OAHLLOKOSA-N
MW266.34 g/mol
LogP1.82
Rot. Bonds3

About (2S)-3,3-diphenylpyrrolidine-2-carboxamide

(2S)-3,3-diphenylpyrrolidine-2-carboxamide (PubChem CID 67922087) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-3,3-diphenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-3,3-diphenylpyrrolidine-2-carboxamide
PubChem CID67922087
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(2S)-3,3-diphenylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1NCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O/c18-16(20)15-17(11-12-19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,19H,11-12H2,(H2,18,20)/t15-/m1/s1
InChIKeyJUNQEKZYWVMMRU-OAHLLOKOSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-diphenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-3,3-diphenylpyrrolidine-2-carboxamide (CID 67922087) is (2S)-3,3-diphenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-3,3-diphenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-3,3-diphenylpyrrolidine-2-carboxamide is NC(=O)[C@H]1NCCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-3,3-diphenylpyrrolidine-2-carboxamide?
The InChIKey is JUNQEKZYWVMMRU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O/c18-16(20)15-17(11-12-19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,19H,11-12H2,(H2,18,20)/t15-/m1/s1.
What are the key properties of (2S)-3,3-diphenylpyrrolidine-2-carboxamide?
(2S)-3,3-diphenylpyrrolidine-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-diphenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67922087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).