4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

C22H24ClN3O3 — CID 9161330

IUPAC4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1C
InChIInChI=1S/C22H24ClN3O3/c1-14-6-4-7-18(15(14)2)24-20(27)13-25(3)22(29)16-9-10-17(23)19(12-16)26-11-5-8-21(26)28/h4,6-7,9-10,12H,5,8,11,13H2,1-3H3,(H,24,27)
InChIKeyXWIMAZPEXYWLMD-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.79
Rot. Bonds5

About 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9161330) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9161330
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1C
InChIInChI=1S/C22H24ClN3O3/c1-14-6-4-7-18(15(14)2)24-20(27)13-25(3)22(29)16-9-10-17(23)19(12-16)26-11-5-8-21(26)28/h4,6-7,9-10,12H,5,8,11,13H2,1-3H3,(H,24,27)
InChIKeyXWIMAZPEXYWLMD-UHFFFAOYSA-N
XLogP3.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 9161434
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9426335
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27800522
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 8503609
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9378702
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71881091
4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 17398985
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 38035453
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 51146033
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 9011392

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide (CID 9161330) is 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1C.
What is the InChIKey of 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is XWIMAZPEXYWLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-14-6-4-7-18(15(14)2)24-20(27)13-25(3)22(29)16-9-10-17(23)19(12-16)26-11-5-8-21(26)28/h4,6-7,9-10,12H,5,8,11,13H2,1-3H3,(H,24,27).
What are the key properties of 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 413.91 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9161330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).