4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C21H22ClN3O3 — CID 154773860

IUPAC4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(C(=O)CCNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C21H22ClN3O3/c1-24(16-6-3-2-4-7-16)19(26)11-12-23-21(28)15-9-10-17(22)18(14-15)25-13-5-8-20(25)27/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,23,28)
InChIKeyDEZMGOISDZNRDP-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.25
Rot. Bonds6

About 4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 154773860) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID154773860
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(C(=O)CCNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C21H22ClN3O3/c1-24(16-6-3-2-4-7-16)19(26)11-12-23-21(28)15-9-10-17(22)18(14-15)25-13-5-8-20(25)27/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,23,28)
InChIKeyDEZMGOISDZNRDP-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9163408
N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046061
4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 9032786
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9297692
methyl 3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 24516853
N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 94476724
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
4-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18143926
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
CID 9305090
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
CID 9305093
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzoate
CID 18200069
1-[2-chloro-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 38454037

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 154773860) is 4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CN(C(=O)CCNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is DEZMGOISDZNRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-24(16-6-3-2-4-7-16)19(26)11-12-23-21(28)15-9-10-17(22)18(14-15)25-13-5-8-20(25)27/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H,23,28).
What are the key properties of 4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 399.88 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 154773860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).