2-(1,2-dimethylindol-3-yl)-3-ethyl-4-pyrrolidin-1-ylbenzamide

C23H27N3O — CID 68792787

IUPAC2-(1,2-dimethylindol-3-yl)-3-ethyl-4-pyrrolidin-1-ylbenzamide
SMILESCCc1c(N2CCCC2)ccc(C(N)=O)c1-c1c(C)n(C)c2ccccc12
InChIInChI=1S/C23H27N3O/c1-4-16-20(26-13-7-8-14-26)12-11-18(23(24)27)22(16)21-15(2)25(3)19-10-6-5-9-17(19)21/h5-6,9-12H,4,7-8,13-14H2,1-3H3,(H2,24,27)
InChIKeyCPTBVKVEKHMWGO-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.42
Rot. Bonds4

About 2-(1,2-dimethylindol-3-yl)-3-ethyl-4-pyrrolidin-1-ylbenzamide

2-(1,2-dimethylindol-3-yl)-3-ethyl-4-pyrrolidin-1-ylbenzamide (PubChem CID 68792787) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-3-ethyl-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-3-ethyl-4-pyrrolidin-1-ylbenzamide
PubChem CID68792787
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2-(1,2-dimethylindol-3-yl)-3-ethyl-4-pyrrolidin-1-ylbenzamide
SMILESCCc1c(N2CCCC2)ccc(C(N)=O)c1-c1c(C)n(C)c2ccccc12
InChIInChI=1S/C23H27N3O/c1-4-16-20(26-13-7-8-14-26)12-11-18(23(24)27)22(16)21-15(2)25(3)19-10-6-5-9-17(19)21/h5-6,9-12H,4,7-8,13-14H2,1-3H3,(H2,24,27)
InChIKeyCPTBVKVEKHMWGO-UHFFFAOYSA-N
XLogP4.42
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-phenyl-4-piperidin-1-ylbenzamide
CID 151957511
ethyl 2-(azepan-1-yl)-9-methylcarbazole-3-carboxylate
CID 43841999
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one
CID 174478124
2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone
CID 110768819
2-methyl-3-pyrrolidin-1-ylbenzamide
CID 154257026
2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113211474
5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 82299165
4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid
CID 11564970
1-methyl-4-piperidin-1-ylquinolin-2-one
CID 154146370
9-methyl-4-pyrrolidin-1-ylcarbazol-1-amine
CID 68827483

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-3-ethyl-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-3-ethyl-4-pyrrolidin-1-ylbenzamide (CID 68792787) is 2-(1,2-dimethylindol-3-yl)-3-ethyl-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-3-ethyl-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-3-ethyl-4-pyrrolidin-1-ylbenzamide is CCc1c(N2CCCC2)ccc(C(N)=O)c1-c1c(C)n(C)c2ccccc12.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-3-ethyl-4-pyrrolidin-1-ylbenzamide?
The InChIKey is CPTBVKVEKHMWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-4-16-20(26-13-7-8-14-26)12-11-18(23(24)27)22(16)21-15(2)25(3)19-10-6-5-9-17(19)21/h5-6,9-12H,4,7-8,13-14H2,1-3H3,(H2,24,27).
What are the key properties of 2-(1,2-dimethylindol-3-yl)-3-ethyl-4-pyrrolidin-1-ylbenzamide?
2-(1,2-dimethylindol-3-yl)-3-ethyl-4-pyrrolidin-1-ylbenzamide has a molecular weight of 361.49 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-3-ethyl-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 68792787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).