2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide

C19H25Cl2N3O2 — CID 73472313

IUPAC2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CC(=NO)CCC1N1CCCC1
InChIInChI=1S/C19H25Cl2N3O2/c1-23(19(25)11-13-4-6-15(20)16(21)10-13)18-12-14(22-26)5-7-17(18)24-8-2-3-9-24/h4,6,10,17-18,26H,2-3,5,7-9,11-12H2,1H3
InChIKeySOTZUHOGSXOSTN-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.84
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide

2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide (PubChem CID 73472313) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
PubChem CID73472313
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC Name2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CC(=NO)CCC1N1CCCC1
InChIInChI=1S/C19H25Cl2N3O2/c1-23(19(25)11-13-4-6-15(20)16(21)10-13)18-12-14(22-26)5-7-17(18)24-8-2-3-9-24/h4,6,10,17-18,26H,2-3,5,7-9,11-12H2,1H3
InChIKeySOTZUHOGSXOSTN-UHFFFAOYSA-N
XLogP3.84
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 19872097
2-(3,4-dichlorophenyl)-N-methyl-N-[(2R,3R)-3-pyrrolidin-1-yl-1,2,3,4-tetrahydroanthracen-2-yl]acetamide
CID 15697308
2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 14673811
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2R)-3-oxo-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 22827143
2-(3,4-dichlorophenyl)-N-(4,4-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 13375664
N-(5-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 14327122
N-[5,5-bis(ethylsulfanyl)-2-pyrrolidin-1-ylcyclohexyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 22120699
2-(3,4-dichlorophenyl)-N-[(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methylacetamide;hydrochloride
CID 54611533
N-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 14872379
2-(3,4-dichlorophenyl)-N-methyl-N-(8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl)acetamide
CID 22120695
N-[(1R,2R)-7-amino-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 22879441
2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-8-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-7-yl]acetamide
CID 70180174

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide (CID 73472313) is 2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide is CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CC(=NO)CCC1N1CCCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide?
The InChIKey is SOTZUHOGSXOSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O2/c1-23(19(25)11-13-4-6-15(20)16(21)10-13)18-12-14(22-26)5-7-17(18)24-8-2-3-9-24/h4,6,10,17-18,26H,2-3,5,7-9,11-12H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide?
2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide has a molecular weight of 398.33 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide is sourced from PubChem (CID 73472313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).