N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C20H21ClN2O4 — CID 51284078

IUPACN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C20H21ClN2O4/c1-11-17-14(3-2-4-15(17)24)23-18(11)20(25)22-6-5-12-9-13(21)19-16(10-12)26-7-8-27-19/h9-10,23H,2-8H2,1H3,(H,22,25)
InChIKeyQSQJEBSJGHXCGF-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.24
Rot. Bonds4

About N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 51284078) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID51284078
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC NameN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C20H21ClN2O4/c1-11-17-14(3-2-4-15(17)24)23-18(11)20(25)22-6-5-12-9-13(21)19-16(10-12)26-7-8-27-19/h9-10,23H,2-8H2,1H3,(H,22,25)
InChIKeyQSQJEBSJGHXCGF-UHFFFAOYSA-N
XLogP3.24
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]benzamide
CID 18126425
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55759194
3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 127929607
2,4-dichloro-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-fluorobenzamide
CID 24564127
N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55880013
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-methylsulfinylbenzamide
CID 51284084
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-(methylamino)butanamide
CID 119697998
5-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119245911
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55464121
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-cyclopentylacetamide
CID 24630297
(2S)-2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3,3-dimethylbutanamide
CID 119698014
N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 37245091

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 51284078) is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is QSQJEBSJGHXCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-11-17-14(3-2-4-15(17)24)23-18(11)20(25)22-6-5-12-9-13(21)19-16(10-12)26-7-8-27-19/h9-10,23H,2-8H2,1H3,(H,22,25).
What are the key properties of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 388.85 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 51284078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).