1-[5-(4-fluorophenyl)furan-2-carbonyl]indole-3-carbonitrile

C20H11FN2O2 — CID 91689475

IUPAC1-[5-(4-fluorophenyl)furan-2-carbonyl]indole-3-carbonitrile
SMILESN#Cc1cn(C(=O)c2ccc(-c3ccc(F)cc3)o2)c2ccccc12
InChIInChI=1S/C20H11FN2O2/c21-15-7-5-13(6-8-15)18-9-10-19(25-18)20(24)23-12-14(11-22)16-3-1-2-4-17(16)23/h1-10,12H
InChIKeyHLPOXVNAEDMLDJ-UHFFFAOYSA-N
MW330.32 g/mol
LogP4.60
Rot. Bonds2

About 1-[5-(4-fluorophenyl)furan-2-carbonyl]indole-3-carbonitrile

1-[5-(4-fluorophenyl)furan-2-carbonyl]indole-3-carbonitrile (PubChem CID 91689475) has the molecular formula C20H11FN2O2 and a molecular weight of 330.32 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)furan-2-carbonyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)furan-2-carbonyl]indole-3-carbonitrile
PubChem CID91689475
Molecular FormulaC20H11FN2O2
Molecular Weight330.32 g/mol
Exact Mass330.08
IUPAC Name1-[5-(4-fluorophenyl)furan-2-carbonyl]indole-3-carbonitrile
SMILESN#Cc1cn(C(=O)c2ccc(-c3ccc(F)cc3)o2)c2ccccc12
InChIInChI=1S/C20H11FN2O2/c21-15-7-5-13(6-8-15)18-9-10-19(25-18)20(24)23-12-14(11-22)16-3-1-2-4-17(16)23/h1-10,12H
InChIKeyHLPOXVNAEDMLDJ-UHFFFAOYSA-N
XLogP4.60
TPSA58.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)furan-2-carbonyl]indole-3-carbonitrile?
The IUPAC name of 1-[5-(4-fluorophenyl)furan-2-carbonyl]indole-3-carbonitrile (CID 91689475) is 1-[5-(4-fluorophenyl)furan-2-carbonyl]indole-3-carbonitrile.
What is the SMILES notation for 1-[5-(4-fluorophenyl)furan-2-carbonyl]indole-3-carbonitrile?
The canonical SMILES for 1-[5-(4-fluorophenyl)furan-2-carbonyl]indole-3-carbonitrile is N#Cc1cn(C(=O)c2ccc(-c3ccc(F)cc3)o2)c2ccccc12.
What is the InChIKey of 1-[5-(4-fluorophenyl)furan-2-carbonyl]indole-3-carbonitrile?
The InChIKey is HLPOXVNAEDMLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11FN2O2/c21-15-7-5-13(6-8-15)18-9-10-19(25-18)20(24)23-12-14(11-22)16-3-1-2-4-17(16)23/h1-10,12H.
What are the key properties of 1-[5-(4-fluorophenyl)furan-2-carbonyl]indole-3-carbonitrile?
1-[5-(4-fluorophenyl)furan-2-carbonyl]indole-3-carbonitrile has a molecular weight of 330.32 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)furan-2-carbonyl]indole-3-carbonitrile is sourced from PubChem (CID 91689475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).