N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

C22H22ClN3O3 — CID 20915839

IUPACN-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCOc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)Nc1ccc(C)c(Cl)c1)n2C
InChIInChI=1S/C22H22ClN3O3/c1-13-6-7-14(11-17(13)23)24-22(28)21-20(26-10-4-5-19(26)27)16-12-15(29-3)8-9-18(16)25(21)2/h6-9,11-12H,4-5,10H2,1-3H3,(H,24,28)
InChIKeyZTBNEGSIQATXFS-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.53
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (PubChem CID 20915839) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
PubChem CID20915839
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC NameN-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCOc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)Nc1ccc(C)c(Cl)c1)n2C
InChIInChI=1S/C22H22ClN3O3/c1-13-6-7-14(11-17(13)23)24-22(28)21-20(26-10-4-5-19(26)27)16-12-15(29-3)8-9-18(16)25(21)2/h6-9,11-12H,4-5,10H2,1-3H3,(H,24,28)
InChIKeyZTBNEGSIQATXFS-UHFFFAOYSA-N
XLogP4.53
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915810
N-(4-methoxyphenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915892
N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915835
N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915816
5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277076
N-(4-ethoxyphenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915906
N-(4-acetamidophenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277117
N-[(2,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915884
N-(2,5-dimethoxyphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277032
N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915872
N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277042
5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide
CID 46277037

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (CID 20915839) is N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)Nc1ccc(C)c(Cl)c1)n2C.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The InChIKey is ZTBNEGSIQATXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-13-6-7-14(11-17(13)23)24-22(28)21-20(26-10-4-5-19(26)27)16-12-15(29-3)8-9-18(16)25(21)2/h6-9,11-12H,4-5,10H2,1-3H3,(H,24,28).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 20915839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).