(E)-2-(3-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile

C24H16F2N2 — CID 126395014

IUPAC(E)-2-(3-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile
SMILESN#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(F)c1
InChIInChI=1S/C24H16F2N2/c25-21-10-8-17(9-11-21)15-28-16-20(23-6-1-2-7-24(23)28)12-19(14-27)18-4-3-5-22(26)13-18/h1-13,16H,15H2/b19-12-
InChIKeyFQFXJHQGDPPEAI-UNOMPAQXSA-N
MW370.40 g/mol
LogP6.03
Rot. Bonds4

About (E)-2-(3-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile

(E)-2-(3-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile (PubChem CID 126395014) has the molecular formula C24H16F2N2 and a molecular weight of 370.40 g/mol. Its IUPAC name is (E)-2-(3-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(3-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile
PubChem CID126395014
Molecular FormulaC24H16F2N2
Molecular Weight370.40 g/mol
Exact Mass370.13
IUPAC Name(E)-2-(3-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile
SMILESN#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(F)c1
InChIInChI=1S/C24H16F2N2/c25-21-10-8-17(9-11-21)15-28-16-20(23-6-1-2-7-24(23)28)12-19(14-27)18-4-3-5-22(26)13-18/h1-13,16H,15H2/b19-12-
InChIKeyFQFXJHQGDPPEAI-UNOMPAQXSA-N
XLogP6.03
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-1-cyano-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethenyl]benzoic acid
CID 2235443
(E)-2-(3-fluorophenyl)-3-[1-[(3-nitrophenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 126398663
(Z)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 1420794
2-(4-fluorophenyl)-3-[1-[(4-nitrophenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 2967378
2-[3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]indol-1-yl]acetate
CID 2229665
(E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enamide
CID 6117816
5-[[3-[2-cyano-2-(4-fluorophenyl)ethenyl]indol-1-yl]methyl]furan-2-carboxylic acid
CID 2978456
(E)-3-[1-[(2R)-butan-2-yl]indol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 126396686
(E)-2-(4-chlorophenyl)-3-[1-[(3-methylphenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 126005354
4-[(Z)-2-[6-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-1-cyanoethenyl]benzoic acid
CID 91936956
(E)-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]-2-phenylprop-2-enenitrile
CID 126364856
(E)-3-(1-benzyl-2-methylindol-3-yl)-2-(3-fluorophenyl)prop-2-enenitrile
CID 126396480

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile?
The IUPAC name of (E)-2-(3-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile (CID 126395014) is (E)-2-(3-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile.
What is the SMILES notation for (E)-2-(3-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile?
The canonical SMILES for (E)-2-(3-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile is N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(F)c1.
What is the InChIKey of (E)-2-(3-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile?
The InChIKey is FQFXJHQGDPPEAI-UNOMPAQXSA-N. The full InChI is InChI=1S/C24H16F2N2/c25-21-10-8-17(9-11-21)15-28-16-20(23-6-1-2-7-24(23)28)12-19(14-27)18-4-3-5-22(26)13-18/h1-13,16H,15H2/b19-12-.
What are the key properties of (E)-2-(3-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile?
(E)-2-(3-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile has a molecular weight of 370.40 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile is sourced from PubChem (CID 126395014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).