N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide

C16H14N2O3 — CID 76891863

IUPACN-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1Cc2ccccc2N1
InChIInChI=1S/C16H14N2O3/c19-16(13-7-10-3-1-2-4-12(10)18-13)17-11-5-6-14-15(8-11)21-9-20-14/h1-6,8,13,18H,7,9H2,(H,17,19)
InChIKeyVMWNWLKEJKHPSM-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.39
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide

N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76891863) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76891863
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1Cc2ccccc2N1
InChIInChI=1S/C16H14N2O3/c19-16(13-7-10-3-1-2-4-12(10)18-13)17-11-5-6-14-15(8-11)21-9-20-14/h1-6,8,13,18H,7,9H2,(H,17,19)
InChIKeyVMWNWLKEJKHPSM-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 107701339
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647
(2S)-N-(1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 22691464
N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide
CID 78270217
5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide
CID 77046165
(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119668954
(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148170
N-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17488439
methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861747
N-(1,2-oxazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76977109
N-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584264
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide (CID 76891863) is N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1Cc2ccccc2N1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is VMWNWLKEJKHPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16(13-7-10-3-1-2-4-12(10)18-13)17-11-5-6-14-15(8-11)21-9-20-14/h1-6,8,13,18H,7,9H2,(H,17,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76891863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).