(E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide

C24H18FN3O2 — CID 1073564

IUPAC(E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide
SMILESN#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccco1
InChIInChI=1S/C24H18FN3O2/c25-20-9-7-17(8-10-20)15-28-16-19(22-5-1-2-6-23(22)28)12-18(13-26)24(29)27-14-21-4-3-11-30-21/h1-12,16H,14-15H2,(H,27,29)/b18-12+
InChIKeyRYCBFBPDOOLOBR-LDADJPATSA-N
MW399.43 g/mol
LogP4.65
Rot. Bonds6

About (E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide

(E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 1073564) has the molecular formula C24H18FN3O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is (E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID1073564
Molecular FormulaC24H18FN3O2
Molecular Weight399.43 g/mol
Exact Mass399.14
IUPAC Name(E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide
SMILESN#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccco1
InChIInChI=1S/C24H18FN3O2/c25-20-9-7-17(8-10-20)15-28-16-19(22-5-1-2-6-23(22)28)12-18(13-26)24(29)27-14-21-4-3-11-30-21/h1-12,16H,14-15H2,(H,27,29)/b18-12+
InChIKeyRYCBFBPDOOLOBR-LDADJPATSA-N
XLogP4.65
TPSA70.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide 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 (E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide (CID 1073564) is (E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide is N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccco1.
What is the InChIKey of (E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is RYCBFBPDOOLOBR-LDADJPATSA-N. The full InChI is InChI=1S/C24H18FN3O2/c25-20-9-7-17(8-10-20)15-28-16-19(22-5-1-2-6-23(22)28)12-18(13-26)24(29)27-14-21-4-3-11-30-21/h1-12,16H,14-15H2,(H,27,29)/b18-12+.
What are the key properties of (E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide?
(E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 399.43 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 1073564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).