4,5-dichloro-1,6-dimethylindole-2-carboxamide

C11H10Cl2N2O — CID 142427655

IUPAC4,5-dichloro-1,6-dimethylindole-2-carboxamide
SMILESCc1cc2c(cc(C(N)=O)n2C)c(Cl)c1Cl
InChIInChI=1S/C11H10Cl2N2O/c1-5-3-7-6(10(13)9(5)12)4-8(11(14)16)15(7)2/h3-4H,1-2H3,(H2,14,16)
InChIKeyFPLCPVNCXMXFCR-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.89
Rot. Bonds1

About 4,5-dichloro-1,6-dimethylindole-2-carboxamide

4,5-dichloro-1,6-dimethylindole-2-carboxamide (PubChem CID 142427655) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 4,5-dichloro-1,6-dimethylindole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-1,6-dimethylindole-2-carboxamide
PubChem CID142427655
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name4,5-dichloro-1,6-dimethylindole-2-carboxamide
SMILESCc1cc2c(cc(C(N)=O)n2C)c(Cl)c1Cl
InChIInChI=1S/C11H10Cl2N2O/c1-5-3-7-6(10(13)9(5)12)4-8(11(14)16)15(7)2/h3-4H,1-2H3,(H2,14,16)
InChIKeyFPLCPVNCXMXFCR-UHFFFAOYSA-N
XLogP2.89
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1,6-dimethylindole-2-carboxamide?
The IUPAC name of 4,5-dichloro-1,6-dimethylindole-2-carboxamide (CID 142427655) is 4,5-dichloro-1,6-dimethylindole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-1,6-dimethylindole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-1,6-dimethylindole-2-carboxamide is Cc1cc2c(cc(C(N)=O)n2C)c(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1,6-dimethylindole-2-carboxamide?
The InChIKey is FPLCPVNCXMXFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-5-3-7-6(10(13)9(5)12)4-8(11(14)16)15(7)2/h3-4H,1-2H3,(H2,14,16).
What are the key properties of 4,5-dichloro-1,6-dimethylindole-2-carboxamide?
4,5-dichloro-1,6-dimethylindole-2-carboxamide has a molecular weight of 257.12 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1,6-dimethylindole-2-carboxamide is sourced from PubChem (CID 142427655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).