3-fluoro-N,N,2-trimethyl-1H-indole-5-carboxamide

C12H13FN2O — CID 176934186

IUPAC3-fluoro-N,N,2-trimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(C)C)cc2c1F
InChIInChI=1S/C12H13FN2O/c1-7-11(13)9-6-8(12(16)15(2)3)4-5-10(9)14-7/h4-6,14H,1-3H3
InChIKeyQQZIPJORJSSGQV-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.32
Rot. Bonds1

About 3-fluoro-N,N,2-trimethyl-1H-indole-5-carboxamide

3-fluoro-N,N,2-trimethyl-1H-indole-5-carboxamide (PubChem CID 176934186) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-fluoro-N,N,2-trimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-fluoro-N,N,2-trimethyl-1H-indole-5-carboxamide
PubChem CID176934186
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-fluoro-N,N,2-trimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(C)C)cc2c1F
InChIInChI=1S/C12H13FN2O/c1-7-11(13)9-6-8(12(16)15(2)3)4-5-10(9)14-7/h4-6,14H,1-3H3
InChIKeyQQZIPJORJSSGQV-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 3-fluoro-N,N,2-trimethyl-1H-indole-5-carboxamide?
The IUPAC name of 3-fluoro-N,N,2-trimethyl-1H-indole-5-carboxamide (CID 176934186) is 3-fluoro-N,N,2-trimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for 3-fluoro-N,N,2-trimethyl-1H-indole-5-carboxamide?
The canonical SMILES for 3-fluoro-N,N,2-trimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)N(C)C)cc2c1F.
What is the InChIKey of 3-fluoro-N,N,2-trimethyl-1H-indole-5-carboxamide?
The InChIKey is QQZIPJORJSSGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-7-11(13)9-6-8(12(16)15(2)3)4-5-10(9)14-7/h4-6,14H,1-3H3.
What are the key properties of 3-fluoro-N,N,2-trimethyl-1H-indole-5-carboxamide?
3-fluoro-N,N,2-trimethyl-1H-indole-5-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 3-fluoro-N,N,2-trimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 176934186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).