1,3-bis(trifluoromethyl)indole-2-carboxamide

C11H6F6N2O — CID 118162026

IUPAC1,3-bis(trifluoromethyl)indole-2-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)c2ccccc2n1C(F)(F)F
InChIInChI=1S/C11H6F6N2O/c12-10(13,14)7-5-3-1-2-4-6(5)19(11(15,16)17)8(7)9(18)20/h1-4H,(H2,18,20)
InChIKeyWCVUDHXSLLJWRF-UHFFFAOYSA-N
MW296.17 g/mol
LogP3.24
Rot. Bonds1

About 1,3-bis(trifluoromethyl)indole-2-carboxamide

1,3-bis(trifluoromethyl)indole-2-carboxamide (PubChem CID 118162026) has the molecular formula C11H6F6N2O and a molecular weight of 296.17 g/mol. Its IUPAC name is 1,3-bis(trifluoromethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1,3-bis(trifluoromethyl)indole-2-carboxamide
PubChem CID118162026
Molecular FormulaC11H6F6N2O
Molecular Weight296.17 g/mol
Exact Mass296.04
IUPAC Name1,3-bis(trifluoromethyl)indole-2-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)c2ccccc2n1C(F)(F)F
InChIInChI=1S/C11H6F6N2O/c12-10(13,14)7-5-3-1-2-4-6(5)19(11(15,16)17)8(7)9(18)20/h1-4H,(H2,18,20)
InChIKeyWCVUDHXSLLJWRF-UHFFFAOYSA-N
XLogP3.24
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trifluoromethyl)indole-2-carboxamide?
The IUPAC name of 1,3-bis(trifluoromethyl)indole-2-carboxamide (CID 118162026) is 1,3-bis(trifluoromethyl)indole-2-carboxamide.
What is the SMILES notation for 1,3-bis(trifluoromethyl)indole-2-carboxamide?
The canonical SMILES for 1,3-bis(trifluoromethyl)indole-2-carboxamide is NC(=O)c1c(C(F)(F)F)c2ccccc2n1C(F)(F)F.
What is the InChIKey of 1,3-bis(trifluoromethyl)indole-2-carboxamide?
The InChIKey is WCVUDHXSLLJWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N2O/c12-10(13,14)7-5-3-1-2-4-6(5)19(11(15,16)17)8(7)9(18)20/h1-4H,(H2,18,20).
What are the key properties of 1,3-bis(trifluoromethyl)indole-2-carboxamide?
1,3-bis(trifluoromethyl)indole-2-carboxamide has a molecular weight of 296.17 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trifluoromethyl)indole-2-carboxamide is sourced from PubChem (CID 118162026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).