2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C20H22ClN3O2 — CID 41334479

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O2/c1-23(13-15-5-2-6-16(21)11-15)14-19(25)22-17-7-3-8-18(12-17)24-10-4-9-20(24)26/h2-3,5-8,11-12H,4,9-10,13-14H2,1H3,(H,22,25)
InChIKeyCOUPHJHKUXGICC-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.54
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 41334479) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID41334479
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O2/c1-23(13-15-5-2-6-16(21)11-15)14-19(25)22-17-7-3-8-18(12-17)24-10-4-9-20(24)26/h2-3,5-8,11-12H,4,9-10,13-14H2,1H3,(H,22,25)
InChIKeyCOUPHJHKUXGICC-UHFFFAOYSA-N
XLogP3.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41380914
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34061557
2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41375343
1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55696103
2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42927357
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8615045
2-[methyl-(4-methylcyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51286691
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36680308
2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42238824
2-[2-methylpropyl(propan-2-yl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36963101
N-[(3-chlorophenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27795184

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 41334479) is 2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CN(CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is COUPHJHKUXGICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-23(13-15-5-2-6-16(21)11-15)14-19(25)22-17-7-3-8-18(12-17)24-10-4-9-20(24)26/h2-3,5-8,11-12H,4,9-10,13-14H2,1H3,(H,22,25).
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 371.87 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 41334479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).