5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid

C26H28F3N3O5 — CID 24875076

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESN#Cc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H27N3O3.C2HF3O2/c25-17-20-7-9-23(30-20)24(28)26-22-8-6-18(10-11-27-12-14-29-15-13-27)16-21(22)19-4-2-1-3-5-19;3-2(4,5)1(6)7/h4,6-9,16H,1-3,5,10-15H2,(H,26,28);(H,6,7)
InChIKeyVHVNBOHWHLQPIH-UHFFFAOYSA-N
MW519.52 g/mol
LogP4.87
Rot. Bonds6

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid

5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 24875076) has the molecular formula C26H28F3N3O5 and a molecular weight of 519.52 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID24875076
Molecular FormulaC26H28F3N3O5
Molecular Weight519.52 g/mol
Exact Mass519.20
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESN#Cc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H27N3O3.C2HF3O2/c25-17-20-7-9-23(30-20)24(28)26-22-8-6-18(10-11-27-12-14-29-15-13-27)16-21(22)19-4-2-1-3-5-19;3-2(4,5)1(6)7/h4,6-9,16H,1-3,5,10-15H2,(H,26,28);(H,6,7)
InChIKeyVHVNBOHWHLQPIH-UHFFFAOYSA-N
XLogP4.87
TPSA115.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.52
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid (CID 24875076) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid is N#Cc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)o1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is VHVNBOHWHLQPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3.C2HF3O2/c25-17-20-7-9-23(30-20)24(28)26-22-8-6-18(10-11-27-12-14-29-15-13-27)16-21(22)19-4-2-1-3-5-19;3-2(4,5)1(6)7/h4,6-9,16H,1-3,5,10-15H2,(H,26,28);(H,6,7).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid?
5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 519.52 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 24875076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).