4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide

C11H10Cl2N2O2 — CID 23003586

IUPAC4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCON(C)C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C11H10Cl2N2O2/c1-15(17-2)11(16)10-5-7-8(13)3-6(12)4-9(7)14-10/h3-5,14H,1-2H3
InChIKeyHJEDHTAPUPFOFI-UHFFFAOYSA-N
MW273.12 g/mol
LogP3.11
Rot. Bonds2

About 4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide

4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide (PubChem CID 23003586) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide
PubChem CID23003586
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCON(C)C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C11H10Cl2N2O2/c1-15(17-2)11(16)10-5-7-8(13)3-6(12)4-9(7)14-10/h3-5,14H,1-2H3
InChIKeyHJEDHTAPUPFOFI-UHFFFAOYSA-N
XLogP3.11
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide (CID 23003586) is 4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide is CON(C)C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide?
The InChIKey is HJEDHTAPUPFOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c1-15(17-2)11(16)10-5-7-8(13)3-6(12)4-9(7)14-10/h3-5,14H,1-2H3.
What are the key properties of 4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide?
4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide has a molecular weight of 273.12 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 23003586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).