ethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline

C24H26F2N4 — CID 145239468

IUPACethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline
SMILESC=C(NN)c1ccc(CN(C(=C)c2ccncc2)c2cccc(F)c2)c(F)c1.CC
InChIInChI=1S/C22H20F2N4.C2H6/c1-15(27-25)18-6-7-19(22(24)12-18)14-28(21-5-3-4-20(23)13-21)16(2)17-8-10-26-11-9-17;1-2/h3-13,27H,1-2,14,25H2;1-2H3
InChIKeyDBVOHZXHEGGWCU-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.50
Rot. Bonds7

About ethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline

ethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline (PubChem CID 145239468) has the molecular formula C24H26F2N4 and a molecular weight of 408.50 g/mol. Its IUPAC name is ethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline.

Molecular Properties

Compound Nameethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline
PubChem CID145239468
Molecular FormulaC24H26F2N4
Molecular Weight408.50 g/mol
Exact Mass408.21
IUPAC Nameethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline
SMILESC=C(NN)c1ccc(CN(C(=C)c2ccncc2)c2cccc(F)c2)c(F)c1.CC
InChIInChI=1S/C22H20F2N4.C2H6/c1-15(27-25)18-6-7-19(22(24)12-18)14-28(21-5-3-4-20(23)13-21)16(2)17-8-10-26-11-9-17;1-2/h3-13,27H,1-2,14,25H2;1-2H3
InChIKeyDBVOHZXHEGGWCU-UHFFFAOYSA-N
XLogP5.50
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline?
The IUPAC name of ethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline (CID 145239468) is ethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline.
What is the SMILES notation for ethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline?
The canonical SMILES for ethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline is C=C(NN)c1ccc(CN(C(=C)c2ccncc2)c2cccc(F)c2)c(F)c1.CC.
What is the InChIKey of ethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline?
The InChIKey is DBVOHZXHEGGWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4.C2H6/c1-15(27-25)18-6-7-19(22(24)12-18)14-28(21-5-3-4-20(23)13-21)16(2)17-8-10-26-11-9-17;1-2/h3-13,27H,1-2,14,25H2;1-2H3.
What are the key properties of ethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline?
ethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline has a molecular weight of 408.50 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-N-[[2-fluoro-4-(1-hydrazinylethenyl)phenyl]methyl]-N-(1-pyridin-4-ylethenyl)aniline is sourced from PubChem (CID 145239468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).