N-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide

C25H20F2N2O2 — CID 42804636

IUPACN-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide
SMILESC=CCn1c(C(=O)Nc2ccc(F)cc2)cc2c(OCc3ccccc3F)cccc21
InChIInChI=1S/C25H20F2N2O2/c1-2-14-29-22-8-5-9-24(31-16-17-6-3-4-7-21(17)27)20(22)15-23(29)25(30)28-19-12-10-18(26)11-13-19/h2-13,15H,1,14,16H2,(H,28,30)
InChIKeyFKUWXANOFRQPLS-UHFFFAOYSA-N
MW418.44 g/mol
LogP5.94
Rot. Bonds7

About N-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide

N-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide (PubChem CID 42804636) has the molecular formula C25H20F2N2O2 and a molecular weight of 418.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide
PubChem CID42804636
Molecular FormulaC25H20F2N2O2
Molecular Weight418.44 g/mol
Exact Mass418.15
IUPAC NameN-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide
SMILESC=CCn1c(C(=O)Nc2ccc(F)cc2)cc2c(OCc3ccccc3F)cccc21
InChIInChI=1S/C25H20F2N2O2/c1-2-14-29-22-8-5-9-24(31-16-17-6-3-4-7-21(17)27)20(22)15-23(29)25(30)28-19-12-10-18(26)11-13-19/h2-13,15H,1,14,16H2,(H,28,30)
InChIKeyFKUWXANOFRQPLS-UHFFFAOYSA-N
XLogP5.94
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.44
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide
CID 42804635
4-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)-1-propylindole-2-carboxamide
CID 42803999
4-[(2-fluorophenyl)methoxy]-1-(3-methylbut-2-enyl)indole-2-carboxylic acid
CID 42666942
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-fluorophenyl)methoxy]-1-(3-methylbut-2-enyl)indole-2-carboxamide
CID 42804823
N-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide
CID 42803998
N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804623
1-[(3,4-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42807293
N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667169
1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide
CID 42807253
N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54680049
N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54682095
5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide
CID 86206858

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide (CID 42804636) is N-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide is C=CCn1c(C(=O)Nc2ccc(F)cc2)cc2c(OCc3ccccc3F)cccc21.
What is the InChIKey of N-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide?
The InChIKey is FKUWXANOFRQPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O2/c1-2-14-29-22-8-5-9-24(31-16-17-6-3-4-7-21(17)27)20(22)15-23(29)25(30)28-19-12-10-18(26)11-13-19/h2-13,15H,1,14,16H2,(H,28,30).
What are the key properties of N-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide?
N-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide has a molecular weight of 418.44 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide is sourced from PubChem (CID 42804636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).