4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide

C16H15FN2O2 — CID 36702819

IUPAC4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc3c(F)cccc3[nH]2)o1
InChIInChI=1S/C16H15FN2O2/c1-10-6-7-11(21-10)9-19(2)16(20)15-8-12-13(17)4-3-5-14(12)18-15/h3-8,18H,9H2,1-2H3
InChIKeyDBCCBYISPAAVAG-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.48
Rot. Bonds3

About 4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide

4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 36702819) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
PubChem CID36702819
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc3c(F)cccc3[nH]2)o1
InChIInChI=1S/C16H15FN2O2/c1-10-6-7-11(21-10)9-19(2)16(20)15-8-12-13(17)4-3-5-14(12)18-15/h3-8,18H,9H2,1-2H3
InChIKeyDBCCBYISPAAVAG-UHFFFAOYSA-N
XLogP3.48
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide (CID 36702819) is 4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide is Cc1ccc(CN(C)C(=O)c2cc3c(F)cccc3[nH]2)o1.
What is the InChIKey of 4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is DBCCBYISPAAVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10-6-7-11(21-10)9-19(2)16(20)15-8-12-13(17)4-3-5-14(12)18-15/h3-8,18H,9H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide?
4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 36702819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).