6-fluoro-N-(furan-2-ylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide

C17H17FN2O2 — CID 118708602

IUPAC6-fluoro-N-(furan-2-ylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)N(Cc1ccco1)C(=O)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C17H17FN2O2/c1-11(2)20(10-14-4-3-7-22-14)17(21)16-8-12-5-6-13(18)9-15(12)19-16/h3-9,11,19H,10H2,1-2H3
InChIKeyRDWYIZRHLPRFPR-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.95
Rot. Bonds4

About 6-fluoro-N-(furan-2-ylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide

6-fluoro-N-(furan-2-ylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 118708602) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 6-fluoro-N-(furan-2-ylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(furan-2-ylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide
PubChem CID118708602
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name6-fluoro-N-(furan-2-ylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)N(Cc1ccco1)C(=O)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C17H17FN2O2/c1-11(2)20(10-14-4-3-7-22-14)17(21)16-8-12-5-6-13(18)9-15(12)19-16/h3-9,11,19H,10H2,1-2H3
InChIKeyRDWYIZRHLPRFPR-UHFFFAOYSA-N
XLogP3.95
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(furan-2-ylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of 6-fluoro-N-(furan-2-ylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide (CID 118708602) is 6-fluoro-N-(furan-2-ylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(furan-2-ylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(furan-2-ylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide is CC(C)N(Cc1ccco1)C(=O)c1cc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-N-(furan-2-ylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is RDWYIZRHLPRFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-11(2)20(10-14-4-3-7-22-14)17(21)16-8-12-5-6-13(18)9-15(12)19-16/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 6-fluoro-N-(furan-2-ylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide?
6-fluoro-N-(furan-2-ylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 300.33 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(furan-2-ylmethyl)-N-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 118708602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).