N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide

C20H23ClN2O2 — CID 51125193

IUPACN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide
SMILESCN(C)CCOc1ccccc1C(=O)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C20H23ClN2O2/c1-23(2)11-12-25-19-6-4-3-5-17(19)20(24)22-18-10-7-14-13-15(21)8-9-16(14)18/h3-6,8-9,13,18H,7,10-12H2,1-2H3,(H,22,24)
InChIKeyRHXLVMGGCDZVAD-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.70
Rot. Bonds6

About N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide (PubChem CID 51125193) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide
PubChem CID51125193
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide
SMILESCN(C)CCOc1ccccc1C(=O)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C20H23ClN2O2/c1-23(2)11-12-25-19-6-4-3-5-17(19)20(24)22-18-10-7-14-13-15(21)8-9-16(14)18/h3-6,8-9,13,18H,7,10-12H2,1-2H3,(H,22,24)
InChIKeyRHXLVMGGCDZVAD-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 155283136
5-chloro-N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 164939975
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate
CID 155718328
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide
CID 171794448
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide
CID 86833068
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125171601
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
CID 82870824
2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide
CID 120576854
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea
CID 126793549
N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide
CID 167797561
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide
CID 155718277

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide (CID 51125193) is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide is CN(C)CCOc1ccccc1C(=O)NC1CCc2cc(Cl)ccc21.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide?
The InChIKey is RHXLVMGGCDZVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-23(2)11-12-25-19-6-4-3-5-17(19)20(24)22-18-10-7-14-13-15(21)8-9-16(14)18/h3-6,8-9,13,18H,7,10-12H2,1-2H3,(H,22,24).
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide?
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide has a molecular weight of 358.87 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide is sourced from PubChem (CID 51125193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).