2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide

C19H26Cl2N2O2 — CID 166541656

IUPAC2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide
SMILESCC(C)(C)CCNC(=O)CC1CCC(=O)N1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H26Cl2N2O2/c1-19(2,3)8-9-22-17(24)11-15-6-7-18(25)23(15)12-13-4-5-14(20)10-16(13)21/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,22,24)
InChIKeyKTTKRWVTOPVBQF-UHFFFAOYSA-N
MW385.34 g/mol
LogP4.43
Rot. Bonds6

About 2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide

2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide (PubChem CID 166541656) has the molecular formula C19H26Cl2N2O2 and a molecular weight of 385.34 g/mol. Its IUPAC name is 2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide
PubChem CID166541656
Molecular FormulaC19H26Cl2N2O2
Molecular Weight385.34 g/mol
Exact Mass384.14
IUPAC Name2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide
SMILESCC(C)(C)CCNC(=O)CC1CCC(=O)N1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H26Cl2N2O2/c1-19(2,3)8-9-22-17(24)11-15-6-7-18(25)23(15)12-13-4-5-14(20)10-16(13)21/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,22,24)
InChIKeyKTTKRWVTOPVBQF-UHFFFAOYSA-N
XLogP4.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
CID 166541593
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-piperidin-1-ylethyl)pyrrolidin-2-one
CID 175838103
1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 15923287
1-[(2,4-dichlorophenyl)methyl]-5-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 175838030
2-[1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
CID 166541506
2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 166541754
(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551537
(2S)-1-[(2-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 1477432
2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide
CID 43399947
2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 166541523
(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
CID 71454380

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide?
The IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide (CID 166541656) is 2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide.
What is the SMILES notation for 2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide?
The canonical SMILES for 2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide is CC(C)(C)CCNC(=O)CC1CCC(=O)N1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide?
The InChIKey is KTTKRWVTOPVBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N2O2/c1-19(2,3)8-9-22-17(24)11-15-6-7-18(25)23(15)12-13-4-5-14(20)10-16(13)21/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,22,24).
What are the key properties of 2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide?
2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide has a molecular weight of 385.34 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide is sourced from PubChem (CID 166541656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).