N-[(E)-[(Z)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2,3,4,5,6-pentafluoroaniline

C21H19Cl2F5N2 — CID 92528675

IUPACN-[(E)-[(Z)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2,3,4,5,6-pentafluoroaniline
SMILESCCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N\Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C21H19Cl2F5N2/c1-2-3-4-5-6-13(9-7-12-8-10-14(22)15(23)11-12)29-30-21-19(27)17(25)16(24)18(26)20(21)28/h7-11,30H,2-6H2,1H3/b9-7-,29-13+
InChIKeyCLGVMPBHQNATGJ-YRWQBFDQSA-N
MW465.29 g/mol
LogP8.14
Rot. Bonds9

About N-[(E)-[(Z)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2,3,4,5,6-pentafluoroaniline

N-[(E)-[(Z)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2,3,4,5,6-pentafluoroaniline (PubChem CID 92528675) has the molecular formula C21H19Cl2F5N2 and a molecular weight of 465.29 g/mol. Its IUPAC name is N-[(E)-[(Z)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2,3,4,5,6-pentafluoroaniline.

Molecular Properties

Compound NameN-[(E)-[(Z)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2,3,4,5,6-pentafluoroaniline
PubChem CID92528675
Molecular FormulaC21H19Cl2F5N2
Molecular Weight465.29 g/mol
Exact Mass464.08
IUPAC NameN-[(E)-[(Z)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2,3,4,5,6-pentafluoroaniline
SMILESCCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N\Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C21H19Cl2F5N2/c1-2-3-4-5-6-13(9-7-12-8-10-14(22)15(23)11-12)29-30-21-19(27)17(25)16(24)18(26)20(21)28/h7-11,30H,2-6H2,1H3/b9-7-,29-13+
InChIKeyCLGVMPBHQNATGJ-YRWQBFDQSA-N
XLogP8.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.29
LogP ≤ 58.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[(E)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]thiourea
CID 131859994
[2-[2-[(E)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 131885495
N-[(E)-[(E)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2-pyridin-1-ium-1-ylacetamide chloride
CID 54607420
3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
CID 2932282
3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline
CID 92529506
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide
CID 6059481
N-[(3,4-dichlorophenyl)methyl]nonanamide
CID 4058649
N-(5-acetamido-2-chlorophenyl)octanamide
CID 60538690
propyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 19177097
(E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide
CID 125487424
N,N'-bis[(3,4-dichlorophenyl)methylideneamino]hexanediamide
CID 4104627
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]butanimidamide;hydrochloride
CID 23469646

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2,3,4,5,6-pentafluoroaniline?
The IUPAC name of N-[(E)-[(Z)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2,3,4,5,6-pentafluoroaniline (CID 92528675) is N-[(E)-[(Z)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2,3,4,5,6-pentafluoroaniline.
What is the SMILES notation for N-[(E)-[(Z)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2,3,4,5,6-pentafluoroaniline?
The canonical SMILES for N-[(E)-[(Z)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2,3,4,5,6-pentafluoroaniline is CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N\Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[(E)-[(Z)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2,3,4,5,6-pentafluoroaniline?
The InChIKey is CLGVMPBHQNATGJ-YRWQBFDQSA-N. The full InChI is InChI=1S/C21H19Cl2F5N2/c1-2-3-4-5-6-13(9-7-12-8-10-14(22)15(23)11-12)29-30-21-19(27)17(25)16(24)18(26)20(21)28/h7-11,30H,2-6H2,1H3/b9-7-,29-13+.
What are the key properties of N-[(E)-[(Z)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2,3,4,5,6-pentafluoroaniline?
N-[(E)-[(Z)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2,3,4,5,6-pentafluoroaniline has a molecular weight of 465.29 g/mol, XLogP of 8.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]-2,3,4,5,6-pentafluoroaniline is sourced from PubChem (CID 92528675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).