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

C27H15ClI2N2O4 — CID 126384909

IUPAC2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
SMILESN#Cc1c(N=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)oc(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C27H15ClI2N2O4/c28-18-7-5-16(6-8-18)15-35-25-20(29)11-17(12-21(25)30)14-32-27-19(13-31)24(22-3-1-9-33-22)26(36-27)23-4-2-10-34-23/h1-12,14H,15H2
InChIKeyKYVLSXPUCUKMSO-UHFFFAOYSA-N
MW720.69 g/mol
LogP8.86
Rot. Bonds7

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

2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile (PubChem CID 126384909) has the molecular formula C27H15ClI2N2O4 and a molecular weight of 720.69 g/mol. Its IUPAC name is 2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
PubChem CID126384909
Molecular FormulaC27H15ClI2N2O4
Molecular Weight720.69 g/mol
Exact Mass719.88
IUPAC Name2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
SMILESN#Cc1c(N=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)oc(-c2ccco2)c1-c1ccco1
InChIInChI=1S/C27H15ClI2N2O4/c28-18-7-5-16(6-8-18)15-35-25-20(29)11-17(12-21(25)30)14-32-27-19(13-31)24(22-3-1-9-33-22)26(36-27)23-4-2-10-34-23/h1-12,14H,15H2
InChIKeyKYVLSXPUCUKMSO-UHFFFAOYSA-N
XLogP8.86
TPSA84.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.69
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126387863
2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126379848
2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 2347116
2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126379631
ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate
CID 126384129
2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126392585
2-[(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126383787
2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 2358220
4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile
CID 46738525
4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile
CID 2356082
4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile
CID 126384701
2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126362742

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The IUPAC name of 2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile (CID 126384909) is 2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile.
What is the SMILES notation for 2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The canonical SMILES for 2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile is N#Cc1c(N=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)oc(-c2ccco2)c1-c1ccco1.
What is the InChIKey of 2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The InChIKey is KYVLSXPUCUKMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15ClI2N2O4/c28-18-7-5-16(6-8-18)15-35-25-20(29)11-17(12-21(25)30)14-32-27-19(13-31)24(22-3-1-9-33-22)26(36-27)23-4-2-10-34-23/h1-12,14H,15H2.
What are the key properties of 2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile has a molecular weight of 720.69 g/mol, XLogP of 8.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile is sourced from PubChem (CID 126384909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).