4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C23H26ClN3O3 — CID 17398985

IUPAC4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C23H26ClN3O3/c1-25(16-18-5-2-3-6-20(18)26-11-13-30-14-12-26)23(29)17-8-9-19(24)21(15-17)27-10-4-7-22(27)28/h2-3,5-6,8-9,15H,4,7,10-14,16H2,1H3
InChIKeyJFVYZCBQZKMZHP-UHFFFAOYSA-N
MW427.93 g/mol
LogP3.58
Rot. Bonds5

About 4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 17398985) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID17398985
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C23H26ClN3O3/c1-25(16-18-5-2-3-6-20(18)26-11-13-30-14-12-26)23(29)17-8-9-19(24)21(15-17)27-10-4-7-22(27)28/h2-3,5-6,8-9,15H,4,7,10-14,16H2,1H3
InChIKeyJFVYZCBQZKMZHP-UHFFFAOYSA-N
XLogP3.58
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 31645758
4-cyclohexyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 55416233
3-ethoxy-4-methoxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 31645741
4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9482810
4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 26701955
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 55416200
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9161330
3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415889
[(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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 17398985) is 4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1.
What is the InChIKey of 4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is JFVYZCBQZKMZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-25(16-18-5-2-3-6-20(18)26-11-13-30-14-12-26)23(29)17-8-9-19(24)21(15-17)27-10-4-7-22(27)28/h2-3,5-6,8-9,15H,4,7,10-14,16H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 427.93 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 17398985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).