N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H22ClN3O3 — CID 55337356

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)Nc2cc(Cl)ccc2N(C)C)CC1=O
InChIInChI=1S/C20H22ClN3O3/c1-23(2)16-9-8-14(21)11-15(16)22-20(26)13-10-19(25)24(12-13)17-6-4-5-7-18(17)27-3/h4-9,11,13H,10,12H2,1-3H3,(H,22,26)
InChIKeyAVZFPKNCPYZHEZ-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.41
Rot. Bonds5

About N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55337356) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55337356
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)Nc2cc(Cl)ccc2N(C)C)CC1=O
InChIInChI=1S/C20H22ClN3O3/c1-23(2)16-9-8-14(21)11-15(16)22-20(26)13-10-19(25)24(12-13)17-6-4-5-7-18(17)27-3/h4-9,11,13H,10,12H2,1-3H3,(H,22,26)
InChIKeyAVZFPKNCPYZHEZ-UHFFFAOYSA-N
XLogP3.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55358717
(3R)-N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8780130
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4787816
(3S)-N-(2-fluorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456530
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
(3S)-N-(4-bromo-2-chlorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26239605
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8714268
(3S)-N-(2,5-dichlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260559
methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 4799318
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
1-(5-chloro-2-methoxyphenyl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 71879533

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55337356) is N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N1CC(C(=O)Nc2cc(Cl)ccc2N(C)C)CC1=O.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AVZFPKNCPYZHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-23(2)16-9-8-14(21)11-15(16)22-20(26)13-10-19(25)24(12-13)17-6-4-5-7-18(17)27-3/h4-9,11,13H,10,12H2,1-3H3,(H,22,26).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55337356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).