2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile

C21H13BrN2O4 — CID 2358220

IUPAC2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
SMILESCOc1ccc(Br)cc1C=Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N
InChIInChI=1S/C21H13BrN2O4/c1-25-16-7-6-14(22)10-13(16)12-24-21-15(11-23)19(17-4-2-8-26-17)20(28-21)18-5-3-9-27-18/h2-10,12H,1H3
InChIKeyYSMXHJXSKXLJDT-UHFFFAOYSA-N
MW437.25 g/mol
LogP6.19
Rot. Bonds5

About 2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile

2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile (PubChem CID 2358220) has the molecular formula C21H13BrN2O4 and a molecular weight of 437.25 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
PubChem CID2358220
Molecular FormulaC21H13BrN2O4
Molecular Weight437.25 g/mol
Exact Mass436.01
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
SMILESCOc1ccc(Br)cc1C=Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N
InChIInChI=1S/C21H13BrN2O4/c1-25-16-7-6-14(22)10-13(16)12-24-21-15(11-23)19(17-4-2-8-26-17)20(28-21)18-5-3-9-27-18/h2-10,12H,1H3
InChIKeyYSMXHJXSKXLJDT-UHFFFAOYSA-N
XLogP6.19
TPSA84.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.25
LogP ≤ 56.19
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-[(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126383787
4,5-bis(furan-2-yl)-2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]furan-3-carbonitrile
CID 10256973
4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]furan-3-carbonitrile
CID 1286677
4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile
CID 46738525
2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 2347116
4,5-bis(4-methoxyphenyl)-2-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]furan-3-carbonitrile
CID 21240132
2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126389331
2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126379631
2-[[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126387863
2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126384909
2-[(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 137068725
2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126392585

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile (CID 2358220) is 2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile is COc1ccc(Br)cc1C=Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The InChIKey is YSMXHJXSKXLJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrN2O4/c1-25-16-7-6-14(22)10-13(16)12-24-21-15(11-23)19(17-4-2-8-26-17)20(28-21)18-5-3-9-27-18/h2-10,12H,1H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile has a molecular weight of 437.25 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile is sourced from PubChem (CID 2358220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).