N-(4-chlorophenyl)-N'-(3-cyano-4,5-diphenylfuran-2-yl)methanimidamide

C24H16ClN3O — CID 172676960

IUPACN-(4-chlorophenyl)-N'-(3-cyano-4,5-diphenylfuran-2-yl)methanimidamide
SMILESN#Cc1c(/N=C/Nc2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H16ClN3O/c25-19-11-13-20(14-12-19)27-16-28-24-21(15-26)22(17-7-3-1-4-8-17)23(29-24)18-9-5-2-6-10-18/h1-14,16H,(H,27,28)
InChIKeyIHYBNWZDUVAZNY-UHFFFAOYSA-N
MW397.87 g/mol
LogP6.91
Rot. Bonds5

About N-(4-chlorophenyl)-N'-(3-cyano-4,5-diphenylfuran-2-yl)methanimidamide

N-(4-chlorophenyl)-N'-(3-cyano-4,5-diphenylfuran-2-yl)methanimidamide (PubChem CID 172676960) has the molecular formula C24H16ClN3O and a molecular weight of 397.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-(3-cyano-4,5-diphenylfuran-2-yl)methanimidamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-(3-cyano-4,5-diphenylfuran-2-yl)methanimidamide
PubChem CID172676960
Molecular FormulaC24H16ClN3O
Molecular Weight397.87 g/mol
Exact Mass397.10
IUPAC NameN-(4-chlorophenyl)-N'-(3-cyano-4,5-diphenylfuran-2-yl)methanimidamide
SMILESN#Cc1c(/N=C/Nc2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H16ClN3O/c25-19-11-13-20(14-12-19)27-16-28-24-21(15-26)22(17-7-3-1-4-8-17)23(29-24)18-9-5-2-6-10-18/h1-14,16H,(H,27,28)
InChIKeyIHYBNWZDUVAZNY-UHFFFAOYSA-N
XLogP6.91
TPSA61.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.87
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[5-(4-bromophenyl)-3-cyano-4-phenylfuran-2-yl]methanimidate
CID 91322901
2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126362742
2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 135800066
2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 137095660
2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 135676096
4,5-bis(4-methoxyphenyl)-2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]furan-3-carbonitrile
CID 21370735
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 2645930
2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 135509011
2-[(3-nitro-4-phenylsulfanylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 126122872
2-[(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 137068725
N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide
CID 23941523
2-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 21379878

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-(3-cyano-4,5-diphenylfuran-2-yl)methanimidamide?
The IUPAC name of N-(4-chlorophenyl)-N'-(3-cyano-4,5-diphenylfuran-2-yl)methanimidamide (CID 172676960) is N-(4-chlorophenyl)-N'-(3-cyano-4,5-diphenylfuran-2-yl)methanimidamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-(3-cyano-4,5-diphenylfuran-2-yl)methanimidamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-(3-cyano-4,5-diphenylfuran-2-yl)methanimidamide is N#Cc1c(/N=C/Nc2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-(3-cyano-4,5-diphenylfuran-2-yl)methanimidamide?
The InChIKey is IHYBNWZDUVAZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O/c25-19-11-13-20(14-12-19)27-16-28-24-21(15-26)22(17-7-3-1-4-8-17)23(29-24)18-9-5-2-6-10-18/h1-14,16H,(H,27,28).
What are the key properties of N-(4-chlorophenyl)-N'-(3-cyano-4,5-diphenylfuran-2-yl)methanimidamide?
N-(4-chlorophenyl)-N'-(3-cyano-4,5-diphenylfuran-2-yl)methanimidamide has a molecular weight of 397.87 g/mol, XLogP of 6.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-(3-cyano-4,5-diphenylfuran-2-yl)methanimidamide is sourced from PubChem (CID 172676960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).