4-(5-fluoroindol-1-yl)-N-[[2-(furan-2-yl)phenyl]methyl]-N-methylbutanamide

C24H23FN2O2 — CID 46245228

IUPAC4-(5-fluoroindol-1-yl)-N-[[2-(furan-2-yl)phenyl]methyl]-N-methylbutanamide
SMILESCN(Cc1ccccc1-c1ccco1)C(=O)CCCn1ccc2cc(F)ccc21
InChIInChI=1S/C24H23FN2O2/c1-26(17-19-6-2-3-7-21(19)23-8-5-15-29-23)24(28)9-4-13-27-14-12-18-16-20(25)10-11-22(18)27/h2-3,5-8,10-12,14-16H,4,9,13,17H2,1H3
InChIKeyKWXFEEKDTSEVNY-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.48
Rot. Bonds7

About 4-(5-fluoroindol-1-yl)-N-[[2-(furan-2-yl)phenyl]methyl]-N-methylbutanamide

4-(5-fluoroindol-1-yl)-N-[[2-(furan-2-yl)phenyl]methyl]-N-methylbutanamide (PubChem CID 46245228) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-(5-fluoroindol-1-yl)-N-[[2-(furan-2-yl)phenyl]methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(5-fluoroindol-1-yl)-N-[[2-(furan-2-yl)phenyl]methyl]-N-methylbutanamide
PubChem CID46245228
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name4-(5-fluoroindol-1-yl)-N-[[2-(furan-2-yl)phenyl]methyl]-N-methylbutanamide
SMILESCN(Cc1ccccc1-c1ccco1)C(=O)CCCn1ccc2cc(F)ccc21
InChIInChI=1S/C24H23FN2O2/c1-26(17-19-6-2-3-7-21(19)23-8-5-15-29-23)24(28)9-4-13-27-14-12-18-16-20(25)10-11-22(18)27/h2-3,5-8,10-12,14-16H,4,9,13,17H2,1H3
InChIKeyKWXFEEKDTSEVNY-UHFFFAOYSA-N
XLogP5.48
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoroindol-1-yl)-N-[[2-(furan-2-yl)phenyl]methyl]-N-methylbutanamide?
The IUPAC name of 4-(5-fluoroindol-1-yl)-N-[[2-(furan-2-yl)phenyl]methyl]-N-methylbutanamide (CID 46245228) is 4-(5-fluoroindol-1-yl)-N-[[2-(furan-2-yl)phenyl]methyl]-N-methylbutanamide.
What is the SMILES notation for 4-(5-fluoroindol-1-yl)-N-[[2-(furan-2-yl)phenyl]methyl]-N-methylbutanamide?
The canonical SMILES for 4-(5-fluoroindol-1-yl)-N-[[2-(furan-2-yl)phenyl]methyl]-N-methylbutanamide is CN(Cc1ccccc1-c1ccco1)C(=O)CCCn1ccc2cc(F)ccc21.
What is the InChIKey of 4-(5-fluoroindol-1-yl)-N-[[2-(furan-2-yl)phenyl]methyl]-N-methylbutanamide?
The InChIKey is KWXFEEKDTSEVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-26(17-19-6-2-3-7-21(19)23-8-5-15-29-23)24(28)9-4-13-27-14-12-18-16-20(25)10-11-22(18)27/h2-3,5-8,10-12,14-16H,4,9,13,17H2,1H3.
What are the key properties of 4-(5-fluoroindol-1-yl)-N-[[2-(furan-2-yl)phenyl]methyl]-N-methylbutanamide?
4-(5-fluoroindol-1-yl)-N-[[2-(furan-2-yl)phenyl]methyl]-N-methylbutanamide has a molecular weight of 390.46 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoroindol-1-yl)-N-[[2-(furan-2-yl)phenyl]methyl]-N-methylbutanamide is sourced from PubChem (CID 46245228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).