(Z)-3-fluoro-N-(4-fluorophenyl)-3-indol-1-ylprop-2-enamide

C17H12F2N2O — CID 169095044

IUPAC(Z)-3-fluoro-N-(4-fluorophenyl)-3-indol-1-ylprop-2-enamide
SMILESO=C(/C=C(\F)n1ccc2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C17H12F2N2O/c18-13-5-7-14(8-6-13)20-17(22)11-16(19)21-10-9-12-3-1-2-4-15(12)21/h1-11H,(H,20,22)/b16-11+
InChIKeyZRQWPMUHCUSFLV-LFIBNONCSA-N
MW298.29 g/mol
LogP4.19
Rot. Bonds3

About (Z)-3-fluoro-N-(4-fluorophenyl)-3-indol-1-ylprop-2-enamide

(Z)-3-fluoro-N-(4-fluorophenyl)-3-indol-1-ylprop-2-enamide (PubChem CID 169095044) has the molecular formula C17H12F2N2O and a molecular weight of 298.29 g/mol. Its IUPAC name is (Z)-3-fluoro-N-(4-fluorophenyl)-3-indol-1-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-fluoro-N-(4-fluorophenyl)-3-indol-1-ylprop-2-enamide
PubChem CID169095044
Molecular FormulaC17H12F2N2O
Molecular Weight298.29 g/mol
Exact Mass298.09
IUPAC Name(Z)-3-fluoro-N-(4-fluorophenyl)-3-indol-1-ylprop-2-enamide
SMILESO=C(/C=C(\F)n1ccc2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C17H12F2N2O/c18-13-5-7-14(8-6-13)20-17(22)11-16(19)21-10-9-12-3-1-2-4-15(12)21/h1-11H,(H,20,22)/b16-11+
InChIKeyZRQWPMUHCUSFLV-LFIBNONCSA-N
XLogP4.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)indazole-1-carboxamide
CID 53033778
N-(4-fluorophenyl)-2-hydroxyiminoacetamide
CID 6400930
(E)-4-indol-1-yl-4-oxobut-2-enoic acid
CID 1201177
N-(4-fluorophenyl)pyrazole-1-carboxamide
CID 3631055
N-(2-fluoroethyl)indole-1-carboxamide
CID 141052134
3-[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]-N-[4-(indazol-1-ylmethyl)phenyl]prop-2-enamide
CID 69208874
1-indol-1-yl-2-methylpropan-1-one
CID 12637473
N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide
CID 156881349
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552815
(E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 17164828
4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide
CID 84553216

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-N-(4-fluorophenyl)-3-indol-1-ylprop-2-enamide?
The IUPAC name of (Z)-3-fluoro-N-(4-fluorophenyl)-3-indol-1-ylprop-2-enamide (CID 169095044) is (Z)-3-fluoro-N-(4-fluorophenyl)-3-indol-1-ylprop-2-enamide.
What is the SMILES notation for (Z)-3-fluoro-N-(4-fluorophenyl)-3-indol-1-ylprop-2-enamide?
The canonical SMILES for (Z)-3-fluoro-N-(4-fluorophenyl)-3-indol-1-ylprop-2-enamide is O=C(/C=C(\F)n1ccc2ccccc21)Nc1ccc(F)cc1.
What is the InChIKey of (Z)-3-fluoro-N-(4-fluorophenyl)-3-indol-1-ylprop-2-enamide?
The InChIKey is ZRQWPMUHCUSFLV-LFIBNONCSA-N. The full InChI is InChI=1S/C17H12F2N2O/c18-13-5-7-14(8-6-13)20-17(22)11-16(19)21-10-9-12-3-1-2-4-15(12)21/h1-11H,(H,20,22)/b16-11+.
What are the key properties of (Z)-3-fluoro-N-(4-fluorophenyl)-3-indol-1-ylprop-2-enamide?
(Z)-3-fluoro-N-(4-fluorophenyl)-3-indol-1-ylprop-2-enamide has a molecular weight of 298.29 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-N-(4-fluorophenyl)-3-indol-1-ylprop-2-enamide is sourced from PubChem (CID 169095044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).