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

C22H24Cl2N2O2 — CID 166541716

IUPACN-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
SMILESCc1ccc(CN2C(=O)CCC2CC(=O)NCCc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C22H24Cl2N2O2/c1-15-2-4-16(5-3-15)14-26-19(7-9-22(26)28)13-21(27)25-11-10-17-12-18(23)6-8-20(17)24/h2-6,8,12,19H,7,9-11,13-14H2,1H3,(H,25,27)
InChIKeyCRESDAHNYONJAU-UHFFFAOYSA-N
MW419.35 g/mol
LogP4.54
Rot. Bonds7

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

N-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide (PubChem CID 166541716) has the molecular formula C22H24Cl2N2O2 and a molecular weight of 419.35 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
PubChem CID166541716
Molecular FormulaC22H24Cl2N2O2
Molecular Weight419.35 g/mol
Exact Mass418.12
IUPAC NameN-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
SMILESCc1ccc(CN2C(=O)CCC2CC(=O)NCCc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C22H24Cl2N2O2/c1-15-2-4-16(5-3-15)14-26-19(7-9-22(26)28)13-21(27)25-11-10-17-12-18(23)6-8-20(17)24/h2-6,8,12,19H,7,9-11,13-14H2,1H3,(H,25,27)
InChIKeyCRESDAHNYONJAU-UHFFFAOYSA-N
XLogP4.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide
CID 166541656
2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
CID 166541670
N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
CID 166541593
methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate
CID 175838128
(5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
CID 175838048
2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 166541858
2-[1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
CID 166541506
4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid
CID 119168765
1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one
CID 45215570
N-[2-(ethylamino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119507676
2-(2,4-dimethylphenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
CID 175838008
methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
CID 175838120

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide?
The IUPAC name of N-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide (CID 166541716) is N-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide is Cc1ccc(CN2C(=O)CCC2CC(=O)NCCc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide?
The InChIKey is CRESDAHNYONJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O2/c1-15-2-4-16(5-3-15)14-26-19(7-9-22(26)28)13-21(27)25-11-10-17-12-18(23)6-8-20(17)24/h2-6,8,12,19H,7,9-11,13-14H2,1H3,(H,25,27).
What are the key properties of N-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide?
N-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide has a molecular weight of 419.35 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide is sourced from PubChem (CID 166541716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).