7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide

C12H13FN2O — CID 176932576

IUPAC7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)N(C)C)[nH]c2c1F
InChIInChI=1S/C12H13FN2O/c1-7-4-5-8-6-9(12(16)15(2)3)14-11(8)10(7)13/h4-6,14H,1-3H3
InChIKeyNJMDYGJPJQCLAN-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.32
Rot. Bonds1

About 7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide

7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide (PubChem CID 176932576) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide
PubChem CID176932576
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)N(C)C)[nH]c2c1F
InChIInChI=1S/C12H13FN2O/c1-7-4-5-8-6-9(12(16)15(2)3)14-11(8)10(7)13/h4-6,14H,1-3H3
InChIKeyNJMDYGJPJQCLAN-UHFFFAOYSA-N
XLogP2.32
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide?
The IUPAC name of 7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide (CID 176932576) is 7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)N(C)C)[nH]c2c1F.
What is the InChIKey of 7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide?
The InChIKey is NJMDYGJPJQCLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-7-4-5-8-6-9(12(16)15(2)3)14-11(8)10(7)13/h4-6,14H,1-3H3.
What are the key properties of 7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide?
7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide has a molecular weight of 220.25 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 176932576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).