N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide

C16H14N2O3 — CID 63252648

IUPACN-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H14N2O3/c19-16(11-1-4-14-15(8-11)21-9-20-14)18-12-2-3-13-10(7-12)5-6-17-13/h1-4,7-8,17H,5-6,9H2,(H,18,19)
InChIKeyKBQDVUZUISFFBB-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.64
Rot. Bonds2

About N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide

N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 63252648) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID63252648
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H14N2O3/c19-16(11-1-4-14-15(8-11)21-9-20-14)18-12-2-3-13-10(7-12)5-6-17-13/h1-4,7-8,17H,5-6,9H2,(H,18,19)
InChIKeyKBQDVUZUISFFBB-UHFFFAOYSA-N
XLogP2.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide
CID 63252905
N-[4-(4-fluoroanilino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112986861
3-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 55169715
N-(2,3-dihydro-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 79217122
N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 63334695
N-(2,3-dihydro-1H-indol-5-yl)-3-hydroxy-4-methoxybenzamide
CID 79735171
N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide
CID 119473764
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110666657
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
N-[4-(2-hydroxyethyl)phenyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61237345
N-(2,3-dihydro-1H-indol-5-yl)pyridine-3-carboxamide
CID 63253121
N-(1H-indol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61250452

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide (CID 63252648) is N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc2c(c1)CCN2)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is KBQDVUZUISFFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16(11-1-4-14-15(8-11)21-9-20-14)18-12-2-3-13-10(7-12)5-6-17-13/h1-4,7-8,17H,5-6,9H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide?
N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 63252648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).