4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline

C17H12IN3O3 — CID 11840307

IUPAC4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
SMILESO=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3ccc(I)cc3)o2)cc1
InChIInChI=1S/C17H12IN3O3/c18-13-3-5-14(6-4-13)20-19-11-16-9-10-17(24-16)12-1-7-15(8-2-12)21(22)23/h1-11,20H/b19-11+
InChIKeyNSDANIBEERVGGF-YBFXNURJSA-N
MW433.21 g/mol
LogP4.91
Rot. Bonds5

About 4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline

4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline (PubChem CID 11840307) has the molecular formula C17H12IN3O3 and a molecular weight of 433.21 g/mol. Its IUPAC name is 4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline.

Molecular Properties

Compound Name4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
PubChem CID11840307
Molecular FormulaC17H12IN3O3
Molecular Weight433.21 g/mol
Exact Mass432.99
IUPAC Name4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
SMILESO=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3ccc(I)cc3)o2)cc1
InChIInChI=1S/C17H12IN3O3/c18-13-3-5-14(6-4-13)20-19-11-16-9-10-17(24-16)12-1-7-15(8-2-12)21(22)23/h1-11,20H/b19-11+
InChIKeyNSDANIBEERVGGF-YBFXNURJSA-N
XLogP4.91
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.21
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 5339495
2-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6029132
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 2837615
2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 4297577
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine
CID 44715002
3-iodo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846761
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 6063608
N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208899
N,N-dimethyl-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]furan-2-amine
CID 126000121
3,5,6-trichloro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridin-2-amine
CID 3605941
N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 2313614
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126031329

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline?
The IUPAC name of 4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline (CID 11840307) is 4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline.
What is the SMILES notation for 4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline?
The canonical SMILES for 4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline is O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3ccc(I)cc3)o2)cc1.
What is the InChIKey of 4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline?
The InChIKey is NSDANIBEERVGGF-YBFXNURJSA-N. The full InChI is InChI=1S/C17H12IN3O3/c18-13-3-5-14(6-4-13)20-19-11-16-9-10-17(24-16)12-1-7-15(8-2-12)21(22)23/h1-11,20H/b19-11+.
What are the key properties of 4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline?
4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline has a molecular weight of 433.21 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline is sourced from PubChem (CID 11840307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).