N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C21H22ClN3O3 — CID 24545208

IUPACN-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H22ClN3O3/c1-24(14-15-4-2-5-17(22)12-15)20(27)13-23-21(28)16-7-9-18(10-8-16)25-11-3-6-19(25)26/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,23,28)
InChIKeyGXIWTZNKCRVVNV-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.86
Rot. Bonds6

About N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 24545208) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID24545208
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC NameN-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H22ClN3O3/c1-24(14-15-4-2-5-17(22)12-15)20(27)13-23-21(28)16-7-9-18(10-8-16)25-11-3-6-19(25)26/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,23,28)
InChIKeyGXIWTZNKCRVVNV-UHFFFAOYSA-N
XLogP2.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27795184
N-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 31211499
1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55696103
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9156547
N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9228101
N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9476611
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27670701
N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38295305
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9164826
N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27666071

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 24545208) is N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CN(Cc1cccc(Cl)c1)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is GXIWTZNKCRVVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-24(14-15-4-2-5-17(22)12-15)20(27)13-23-21(28)16-7-9-18(10-8-16)25-11-3-6-19(25)26/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,23,28).
What are the key properties of N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 399.88 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 24545208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).