N-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide

C17H13ClN2O3 — CID 113205360

IUPACN-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)OCO3)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H13ClN2O3/c1-9-12-4-2-10(18)6-13(12)20-16(9)17(21)19-11-3-5-14-15(7-11)23-8-22-14/h2-7,20H,8H2,1H3,(H,19,21)
InChIKeyQDHGLYNCBSWGAH-UHFFFAOYSA-N
MW328.76 g/mol
LogP4.11
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide

N-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide (PubChem CID 113205360) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide
PubChem CID113205360
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)OCO3)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H13ClN2O3/c1-9-12-4-2-10(18)6-13(12)20-16(9)17(21)19-11-3-5-14-15(7-11)23-8-22-14/h2-7,20H,8H2,1H3,(H,19,21)
InChIKeyQDHGLYNCBSWGAH-UHFFFAOYSA-N
XLogP4.11
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205346
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204704
N-(1,3-benzodioxol-5-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 36676045
N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204770
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
CID 26439030
6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205343
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365
5-(1,3-benzodioxol-5-ylcarbamoyl)thiophene-2-carboxylic acid
CID 43414348
N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
CID 112759099
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917
1-(1,3-benzodioxol-5-yl)-3-(5-chloro-2-fluorophenyl)urea
CID 46860085
4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3239225

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide (CID 113205360) is N-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide is Cc1c(C(=O)Nc2ccc3c(c2)OCO3)[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide?
The InChIKey is QDHGLYNCBSWGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-9-12-4-2-10(18)6-13(12)20-16(9)17(21)19-11-3-5-14-15(7-11)23-8-22-14/h2-7,20H,8H2,1H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-chloro-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113205360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).