2,2-bis(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide

C21H19Cl2N3O2 — CID 70693949

IUPAC2,2-bis(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl2N3O2/c22-16-7-3-14(4-8-16)20(15-5-9-17(23)10-6-15)21(28)25-13-19(27)26-11-1-2-18(26)12-24/h3-10,18,20H,1-2,11,13H2,(H,25,28)/t18-/m0/s1
InChIKeyRJDRVPZZIUCYOD-SFHVURJKSA-N
MW416.31 g/mol
LogP3.76
Rot. Bonds5

About 2,2-bis(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide

2,2-bis(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 70693949) has the molecular formula C21H19Cl2N3O2 and a molecular weight of 416.31 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide
PubChem CID70693949
Molecular FormulaC21H19Cl2N3O2
Molecular Weight416.31 g/mol
Exact Mass415.09
IUPAC Name2,2-bis(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl2N3O2/c22-16-7-3-14(4-8-16)20(15-5-9-17(23)10-6-15)21(28)25-13-19(27)26-11-1-2-18(26)12-24/h3-10,18,20H,1-2,11,13H2,(H,25,28)/t18-/m0/s1
InChIKeyRJDRVPZZIUCYOD-SFHVURJKSA-N
XLogP3.76
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2,2-bis(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 70693949) is 2,2-bis(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2,2-bis(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide is N#C[C@@H]1CCCN1C(=O)CNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2,2-bis(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is RJDRVPZZIUCYOD-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19Cl2N3O2/c22-16-7-3-14(4-8-16)20(15-5-9-17(23)10-6-15)21(28)25-13-19(27)26-11-1-2-18(26)12-24/h3-10,18,20H,1-2,11,13H2,(H,25,28)/t18-/m0/s1.
What are the key properties of 2,2-bis(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide?
2,2-bis(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 416.31 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 70693949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).