(2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide

C17H15N3O4 — CID 41429186

IUPAC(2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide
SMILESNC(=O)[C@H]1Cc2ccccc2N1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H15N3O4/c18-16(21)13-7-10-3-1-2-4-12(10)20(13)17(22)19-11-5-6-14-15(8-11)24-9-23-14/h1-6,8,13H,7,9H2,(H2,18,21)(H,19,22)/t13-/m1/s1
InChIKeyRSMOCTIDOMIFIL-CYBMUJFWSA-N
MW325.32 g/mol
LogP1.86
Rot. Bonds2

About (2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide

(2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide (PubChem CID 41429186) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is (2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide
PubChem CID41429186
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name(2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide
SMILESNC(=O)[C@H]1Cc2ccccc2N1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H15N3O4/c18-16(21)13-7-10-3-1-2-4-12(10)20(13)17(22)19-11-5-6-14-15(8-11)24-9-23-14/h1-6,8,13H,7,9H2,(H2,18,21)(H,19,22)/t13-/m1/s1
InChIKeyRSMOCTIDOMIFIL-CYBMUJFWSA-N
XLogP1.86
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide
CID 92710254
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110866632
(3S)-2-[2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 40794446
(3R)-5-N-(1,3-benzodioxol-5-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999399
(2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide
CID 56822734
(2R)-1-N-(2,4-dimethoxyphenyl)-2,3-dihydroindole-1,2-dicarboxamide
CID 41232320
(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide
CID 41429200
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76891863
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108970024
N-(1,3-benzodioxol-5-yl)-4-(2-nitrophenyl)piperazine-1-carboxamide
CID 51301743
(2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide
CID 86777025
1-(1-benzofuran-2-carbonyl)-2,3-dihydroindole-2-carboxamide
CID 18587951

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide (CID 41429186) is (2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide is NC(=O)[C@H]1Cc2ccccc2N1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide?
The InChIKey is RSMOCTIDOMIFIL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H15N3O4/c18-16(21)13-7-10-3-1-2-4-12(10)20(13)17(22)19-11-5-6-14-15(8-11)24-9-23-14/h1-6,8,13H,7,9H2,(H2,18,21)(H,19,22)/t13-/m1/s1.
What are the key properties of (2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide?
(2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide has a molecular weight of 325.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide is sourced from PubChem (CID 41429186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).