N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C25H30ClN3O3 — CID 55609840

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NCC(c3ccccc3Cl)N3CCOCC3)CC2=O)c1C
InChIInChI=1S/C25H30ClN3O3/c1-17-6-5-9-22(18(17)2)29-16-19(14-24(29)30)25(31)27-15-23(28-10-12-32-13-11-28)20-7-3-4-8-21(20)26/h3-9,19,23H,10-16H2,1-2H3,(H,27,31)
InChIKeyLGZMIGNYRHKHAD-UHFFFAOYSA-N
MW455.99 g/mol
LogP3.50
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55609840) has the molecular formula C25H30ClN3O3 and a molecular weight of 455.99 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55609840
Molecular FormulaC25H30ClN3O3
Molecular Weight455.99 g/mol
Exact Mass455.20
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NCC(c3ccccc3Cl)N3CCOCC3)CC2=O)c1C
InChIInChI=1S/C25H30ClN3O3/c1-17-6-5-9-22(18(17)2)29-16-19(14-24(29)30)25(31)27-15-23(28-10-12-32-13-11-28)20-7-3-4-8-21(20)26/h3-9,19,23H,10-16H2,1-2H3,(H,27,31)
InChIKeyLGZMIGNYRHKHAD-UHFFFAOYSA-N
XLogP3.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55609929
1-(2-chlorophenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 43050162
N-(3-aminobutyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119498292
1-(2,3-dimethylphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42997194
(3S)-N-(3-chloro-2-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41133153
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55382996
1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 17080666
1-(3-chloro-2-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187521
N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186297
1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2932312
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1233393

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55609840) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)NCC(c3ccccc3Cl)N3CCOCC3)CC2=O)c1C.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LGZMIGNYRHKHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O3/c1-17-6-5-9-22(18(17)2)29-16-19(14-24(29)30)25(31)27-15-23(28-10-12-32-13-11-28)20-7-3-4-8-21(20)26/h3-9,19,23H,10-16H2,1-2H3,(H,27,31).
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 455.99 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55609840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).