2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide

C23H28ClN3O2 — CID 167961399

IUPAC2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide
SMILESCNCc1c(C)cc(C(=O)N2CC(CC(=O)N(C)C)c3cc(Cl)ccc32)cc1C
InChIInChI=1S/C23H28ClN3O2/c1-14-8-16(9-15(2)20(14)12-25-3)23(29)27-13-17(10-22(28)26(4)5)19-11-18(24)6-7-21(19)27/h6-9,11,17,25H,10,12-13H2,1-5H3
InChIKeyNQOGAIUYIXLZPY-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.90
Rot. Bonds5

About 2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide

2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide (PubChem CID 167961399) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide
PubChem CID167961399
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide
SMILESCNCc1c(C)cc(C(=O)N2CC(CC(=O)N(C)C)c3cc(Cl)ccc32)cc1C
InChIInChI=1S/C23H28ClN3O2/c1-14-8-16(9-15(2)20(14)12-25-3)23(29)27-13-17(10-22(28)26(4)5)19-11-18(24)6-7-21(19)27/h6-9,11,17,25H,10,12-13H2,1-5H3
InChIKeyNQOGAIUYIXLZPY-UHFFFAOYSA-N
XLogP3.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide (CID 167961399) is 2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide is CNCc1c(C)cc(C(=O)N2CC(CC(=O)N(C)C)c3cc(Cl)ccc32)cc1C.
What is the InChIKey of 2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide?
The InChIKey is NQOGAIUYIXLZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-14-8-16(9-15(2)20(14)12-25-3)23(29)27-13-17(10-22(28)26(4)5)19-11-18(24)6-7-21(19)27/h6-9,11,17,25H,10,12-13H2,1-5H3.
What are the key properties of 2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide?
2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide has a molecular weight of 413.95 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-[3,5-dimethyl-4-(methylaminomethyl)benzoyl]-2,3-dihydroindol-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 167961399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).