2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide

C25H32Cl2N2O — CID 57009579

IUPAC2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide
SMILESCC(C)CC(CNC(=O)C(C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C25H32Cl2N2O/c1-18(2)16-23(29-14-4-5-15-29)17-28-24(30)25(3,19-6-10-21(26)11-7-19)20-8-12-22(27)13-9-20/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,28,30)
InChIKeyRMXXZJRHYXGEEP-UHFFFAOYSA-N
MW447.45 g/mol
LogP5.93
Rot. Bonds8

About 2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide

2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide (PubChem CID 57009579) has the molecular formula C25H32Cl2N2O and a molecular weight of 447.45 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide
PubChem CID57009579
Molecular FormulaC25H32Cl2N2O
Molecular Weight447.45 g/mol
Exact Mass446.19
IUPAC Name2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide
SMILESCC(C)CC(CNC(=O)C(C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C25H32Cl2N2O/c1-18(2)16-23(29-14-4-5-15-29)17-28-24(30)25(3,19-6-10-21(26)11-7-19)20-8-12-22(27)13-9-20/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,28,30)
InChIKeyRMXXZJRHYXGEEP-UHFFFAOYSA-N
XLogP5.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.45
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
CID 55871235
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
5-chloro-2-hydroxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 43050180
2,2,2-trifluoro-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 62491437
2-(4-chlorophenyl)-N-(2-hydroxypropyl)-2-methylpropanamide
CID 110466162
2-(2-chloro-6-fluorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 46540918
2-(4-ethoxyphenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)acetamide
CID 110403492
tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
CID 63787814
2-(2,5-dichlorophenoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 24666851
N-(4-methyl-2-piperidin-1-ylpentyl)-3-phenoxypropanamide
CID 110403387
2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol
CID 90871387
1-cyclohexyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)urea
CID 110403501

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide?
The IUPAC name of 2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide (CID 57009579) is 2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide?
The canonical SMILES for 2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide is CC(C)CC(CNC(=O)C(C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide?
The InChIKey is RMXXZJRHYXGEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N2O/c1-18(2)16-23(29-14-4-5-15-29)17-28-24(30)25(3,19-6-10-21(26)11-7-19)20-8-12-22(27)13-9-20/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,28,30).
What are the key properties of 2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide?
2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide has a molecular weight of 447.45 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)propanamide is sourced from PubChem (CID 57009579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).