2-ethenyl-4-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N-methylaniline

C23H26FN — CID 144602358

IUPAC2-ethenyl-4-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N-methylaniline
SMILESC=Cc1cc(C(/C=C\CC)=C(/C)c2ccc(F)c(C)c2)ccc1NC
InChIInChI=1S/C23H26FN/c1-6-8-9-21(17(4)19-10-12-22(24)16(3)14-19)20-11-13-23(25-5)18(7-2)15-20/h7-15,25H,2,6H2,1,3-5H3/b9-8-,21-17-
InChIKeyMGSONZLQYCOCJP-MIUZONMXSA-N
MW335.47 g/mol
LogP6.72
Rot. Bonds6

About 2-ethenyl-4-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N-methylaniline

2-ethenyl-4-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N-methylaniline (PubChem CID 144602358) has the molecular formula C23H26FN and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-ethenyl-4-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N-methylaniline.

Molecular Properties

Compound Name2-ethenyl-4-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N-methylaniline
PubChem CID144602358
Molecular FormulaC23H26FN
Molecular Weight335.47 g/mol
Exact Mass335.20
IUPAC Name2-ethenyl-4-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N-methylaniline
SMILESC=Cc1cc(C(/C=C\CC)=C(/C)c2ccc(F)c(C)c2)ccc1NC
InChIInChI=1S/C23H26FN/c1-6-8-9-21(17(4)19-10-12-22(24)16(3)14-19)20-11-13-23(25-5)18(7-2)15-20/h7-15,25H,2,6H2,1,3-5H3/b9-8-,21-17-
InChIKeyMGSONZLQYCOCJP-MIUZONMXSA-N
XLogP6.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butane;3-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-8-methyl-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 144602434
butane;1,4-dichloro-2-[(2Z,4Z)-3-(3,4-dimethylphenyl)hepta-2,4-dien-2-yl]benzene;ethane
CID 144943601
ethane;3-ethenyl-4-(methylamino)benzoic acid
CID 145311632
butane;5-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N,2,4-trimethyl-N-(3-methylbutyl)-2H-pyridin-1-amine
CID 144602360
4-fluoro-N,3-dimethylbenzenecarbothioamide
CID 116827662
2-ethenyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 169168599
1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
CID 82075088
(E)-3-(4-fluoro-3-methylphenyl)hept-2-enoic acid
CID 82049175
1-(4-fluoro-3-methylphenyl)-2-methylprop-2-en-1-one
CID 79189923
[3-ethenyl-4-(methylamino)phenyl]boronic acid
CID 143196109
N-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 82113156
ethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene
CID 142343113

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N-methylaniline?
The IUPAC name of 2-ethenyl-4-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N-methylaniline (CID 144602358) is 2-ethenyl-4-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N-methylaniline.
What is the SMILES notation for 2-ethenyl-4-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N-methylaniline?
The canonical SMILES for 2-ethenyl-4-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N-methylaniline is C=Cc1cc(C(/C=C\CC)=C(/C)c2ccc(F)c(C)c2)ccc1NC.
What is the InChIKey of 2-ethenyl-4-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N-methylaniline?
The InChIKey is MGSONZLQYCOCJP-MIUZONMXSA-N. The full InChI is InChI=1S/C23H26FN/c1-6-8-9-21(17(4)19-10-12-22(24)16(3)14-19)20-11-13-23(25-5)18(7-2)15-20/h7-15,25H,2,6H2,1,3-5H3/b9-8-,21-17-.
What are the key properties of 2-ethenyl-4-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N-methylaniline?
2-ethenyl-4-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N-methylaniline has a molecular weight of 335.47 g/mol, XLogP of 6.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-[(2Z,4Z)-2-(4-fluoro-3-methylphenyl)hepta-2,4-dien-3-yl]-N-methylaniline is sourced from PubChem (CID 144602358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).