3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide

C17H13Cl2FN2O — CID 55913427

IUPAC3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C17H13Cl2FN2O/c1-22(9-10-2-5-12(20)6-3-10)17(23)16-15(19)13-8-11(18)4-7-14(13)21-16/h2-8,21H,9H2,1H3
InChIKeyALBUFSQMEXBQHL-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.89
Rot. Bonds3

About 3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide

3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide (PubChem CID 55913427) has the molecular formula C17H13Cl2FN2O and a molecular weight of 351.21 g/mol. Its IUPAC name is 3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide
PubChem CID55913427
Molecular FormulaC17H13Cl2FN2O
Molecular Weight351.21 g/mol
Exact Mass350.04
IUPAC Name3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C17H13Cl2FN2O/c1-22(9-10-2-5-12(20)6-3-10)17(23)16-15(19)13-8-11(18)4-7-14(13)21-16/h2-8,21H,9H2,1H3
InChIKeyALBUFSQMEXBQHL-UHFFFAOYSA-N
XLogP4.89
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide (CID 55913427) is 3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl.
What is the InChIKey of 3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is ALBUFSQMEXBQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN2O/c1-22(9-10-2-5-12(20)6-3-10)17(23)16-15(19)13-8-11(18)4-7-14(13)21-16/h2-8,21H,9H2,1H3.
What are the key properties of 3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide?
3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 351.21 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 55913427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).