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

C24H21FN2O3 — CID 42804635

IUPAC4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide
SMILESC=CCn1c(C(=O)NCc2ccco2)cc2c(OCc3ccccc3F)cccc21
InChIInChI=1S/C24H21FN2O3/c1-2-12-27-21-10-5-11-23(30-16-17-7-3-4-9-20(17)25)19(21)14-22(27)24(28)26-15-18-8-6-13-29-18/h2-11,13-14H,1,12,15-16H2,(H,26,28)
InChIKeyYEHNQBZYHRGPQR-UHFFFAOYSA-N
MW404.44 g/mol
LogP5.07
Rot. Bonds8

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

4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide (PubChem CID 42804635) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide
PubChem CID42804635
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Name4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide
SMILESC=CCn1c(C(=O)NCc2ccco2)cc2c(OCc3ccccc3F)cccc21
InChIInChI=1S/C24H21FN2O3/c1-2-12-27-21-10-5-11-23(30-16-17-7-3-4-9-20(17)25)19(21)14-22(27)24(28)26-15-18-8-6-13-29-18/h2-11,13-14H,1,12,15-16H2,(H,26,28)
InChIKeyYEHNQBZYHRGPQR-UHFFFAOYSA-N
XLogP5.07
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-1-prop-2-enylindole-2-carboxamide
CID 42804636
N-(furan-2-ylmethyl)-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42807262
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
1-[(3-chlorophenyl)methyl]-4-ethoxy-N-(furan-2-ylmethyl)indole-2-carboxamide
CID 42666962
1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053947
1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide
CID 42805833
4-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)-1-propylindole-2-carboxamide
CID 42803999
1-[(3,4-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42807293
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
4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
CID 22429669

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide?
The IUPAC name of 4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide (CID 42804635) is 4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide?
The canonical SMILES for 4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide is C=CCn1c(C(=O)NCc2ccco2)cc2c(OCc3ccccc3F)cccc21.
What is the InChIKey of 4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide?
The InChIKey is YEHNQBZYHRGPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c1-2-12-27-21-10-5-11-23(30-16-17-7-3-4-9-20(17)25)19(21)14-22(27)24(28)26-15-18-8-6-13-29-18/h2-11,13-14H,1,12,15-16H2,(H,26,28).
What are the key properties of 4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide?
4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide is sourced from PubChem (CID 42804635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).