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

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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).