N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide

C20H26Cl2N2O2 — CID 166541593

IUPACN-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
SMILESO=C(CC1CCC(=O)N1Cc1ccc(Cl)cc1Cl)NCC1CCCCC1
InChIInChI=1S/C20H26Cl2N2O2/c21-16-7-6-15(18(22)10-16)13-24-17(8-9-20(24)26)11-19(25)23-12-14-4-2-1-3-5-14/h6-7,10,14,17H,1-5,8-9,11-13H2,(H,23,25)
InChIKeyKSVAWSMZHGJEKR-UHFFFAOYSA-N
MW397.35 g/mol
LogP4.57
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide

N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide (PubChem CID 166541593) has the molecular formula C20H26Cl2N2O2 and a molecular weight of 397.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
PubChem CID166541593
Molecular FormulaC20H26Cl2N2O2
Molecular Weight397.35 g/mol
Exact Mass396.14
IUPAC NameN-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
SMILESO=C(CC1CCC(=O)N1Cc1ccc(Cl)cc1Cl)NCC1CCCCC1
InChIInChI=1S/C20H26Cl2N2O2/c21-16-7-6-15(18(22)10-16)13-24-17(8-9-20(24)26)11-19(25)23-12-14-4-2-1-3-5-14/h6-7,10,14,17H,1-5,8-9,11-13H2,(H,23,25)
InChIKeyKSVAWSMZHGJEKR-UHFFFAOYSA-N
XLogP4.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide 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-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide
CID 166541656
1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one
CID 175838103
1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 15923287
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
N-(cyclobutylmethyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]acetamide
CID 60578541
N-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
CID 166541716
1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 175838030
N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900243
(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
CID 71454380
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea
CID 131892648
(2S)-1-[(2-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 1477432
2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459765

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide (CID 166541593) is N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide is O=C(CC1CCC(=O)N1Cc1ccc(Cl)cc1Cl)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide?
The InChIKey is KSVAWSMZHGJEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2O2/c21-16-7-6-15(18(22)10-16)13-24-17(8-9-20(24)26)11-19(25)23-12-14-4-2-1-3-5-14/h6-7,10,14,17H,1-5,8-9,11-13H2,(H,23,25).
What are the key properties of N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide?
N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide has a molecular weight of 397.35 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide is sourced from PubChem (CID 166541593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).