2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide

C22H28ClN3O — CID 7496263

IUPAC2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide
SMILESCN(C)c1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCC2)cc1
InChIInChI=1S/C22H28ClN3O/c1-25(2)20-11-7-18(8-12-20)21(26-13-3-4-14-26)16-24-22(27)15-17-5-9-19(23)10-6-17/h5-12,21H,3-4,13-16H2,1-2H3,(H,24,27)/t21-/m0/s1
InChIKeyOWNABPWCGLBUIP-NRFANRHFSA-N
MW385.94 g/mol
LogP3.90
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide

2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 7496263) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID7496263
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide
SMILESCN(C)c1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCC2)cc1
InChIInChI=1S/C22H28ClN3O/c1-25(2)20-11-7-18(8-12-20)21(26-13-3-4-14-26)16-24-22(27)15-17-5-9-19(23)10-6-17/h5-12,21H,3-4,13-16H2,1-2H3,(H,24,27)/t21-/m0/s1
InChIKeyOWNABPWCGLBUIP-NRFANRHFSA-N
XLogP3.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 43956917
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3,3-dimethylbutanamide
CID 7496200
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-methoxyacetamide
CID 7496422
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 7496721
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide
CID 118768790
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 30774053
2-(4-chlorophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931253
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2,6-difluorobenzamide
CID 7496297
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide
CID 7496319
ethyl N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]carbamate
CID 43956135
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide
CID 7496289

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide (CID 7496263) is 2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide is CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is OWNABPWCGLBUIP-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-25(2)20-11-7-18(8-12-20)21(26-13-3-4-14-26)16-24-22(27)15-17-5-9-19(23)10-6-17/h5-12,21H,3-4,13-16H2,1-2H3,(H,24,27)/t21-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide?
2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 385.94 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 7496263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).