2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile

C27H16Cl2N2O4 — CID 126379848

IUPAC2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
SMILESN#Cc1c(N=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)oc(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C27H16Cl2N2O4/c28-19-9-8-18(22(29)13-19)16-34-20-5-1-4-17(12-20)15-31-27-21(14-30)25(23-6-2-10-32-23)26(35-27)24-7-3-11-33-24/h1-13,15H,16H2
InChIKeyHYDQCDZKESXQIH-UHFFFAOYSA-N
MW503.34 g/mol
LogP8.31
Rot. Bonds7

About 2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile

2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile (PubChem CID 126379848) has the molecular formula C27H16Cl2N2O4 and a molecular weight of 503.34 g/mol. Its IUPAC name is 2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
PubChem CID126379848
Molecular FormulaC27H16Cl2N2O4
Molecular Weight503.34 g/mol
Exact Mass502.05
IUPAC Name2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
SMILESN#Cc1c(N=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)oc(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C27H16Cl2N2O4/c28-19-9-8-18(22(29)13-19)16-34-20-5-1-4-17(12-20)15-31-27-21(14-30)25(23-6-2-10-32-23)26(35-27)24-7-3-11-33-24/h1-13,15H,16H2
InChIKeyHYDQCDZKESXQIH-UHFFFAOYSA-N
XLogP8.31
TPSA84.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.34
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126387863
2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126379631
2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126384909
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126350124
2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 2347116
[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530136
ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate
CID 126384129
2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 2358220
2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126392585
2-[(2Z)-2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 92847211
4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile
CID 126384701
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840793

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The IUPAC name of 2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile (CID 126379848) is 2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile.
What is the SMILES notation for 2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The canonical SMILES for 2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile is N#Cc1c(N=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)oc(-c2ccco2)c1-c1ccco1.
What is the InChIKey of 2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The InChIKey is HYDQCDZKESXQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16Cl2N2O4/c28-19-9-8-18(22(29)13-19)16-34-20-5-1-4-17(12-20)15-31-27-21(14-30)25(23-6-2-10-32-23)26(35-27)24-7-3-11-33-24/h1-13,15H,16H2.
What are the key properties of 2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile has a molecular weight of 503.34 g/mol, XLogP of 8.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile is sourced from PubChem (CID 126379848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).