N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide

C21H19ClN4O4 — CID 20933469

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2cc(-c3nnc(C)o3)c3ccccc32)cc1Cl
InChIInChI=1S/C21H19ClN4O4/c1-12-24-25-21(30-12)14-10-26(17-7-5-4-6-13(14)17)11-20(27)23-16-8-15(22)18(28-2)9-19(16)29-3/h4-10H,11H2,1-3H3,(H,23,27)
InChIKeyORRQDKWMSKMOFW-UHFFFAOYSA-N
MW426.86 g/mol
LogP4.31
Rot. Bonds6

About N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (PubChem CID 20933469) has the molecular formula C21H19ClN4O4 and a molecular weight of 426.86 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
PubChem CID20933469
Molecular FormulaC21H19ClN4O4
Molecular Weight426.86 g/mol
Exact Mass426.11
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2cc(-c3nnc(C)o3)c3ccccc32)cc1Cl
InChIInChI=1S/C21H19ClN4O4/c1-12-24-25-21(30-12)14-10-26(17-7-5-4-6-13(14)17)11-20(27)23-16-8-15(22)18(28-2)9-19(16)29-3/h4-10H,11H2,1-3H3,(H,23,27)
InChIKeyORRQDKWMSKMOFW-UHFFFAOYSA-N
XLogP4.31
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (CID 20933469) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is COc1cc(OC)c(NC(=O)Cn2cc(-c3nnc(C)o3)c3ccccc32)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The InChIKey is ORRQDKWMSKMOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4/c1-12-24-25-21(30-12)14-10-26(17-7-5-4-6-13(14)17)11-20(27)23-16-8-15(22)18(28-2)9-19(16)29-3/h4-10H,11H2,1-3H3,(H,23,27).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide has a molecular weight of 426.86 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 20933469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).