N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline

C17H12ClN3O3 — CID 6178813

IUPACN-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline
SMILESO=[N+]([O-])c1cc(-c2ccc(/C=N\Nc3ccccc3)o2)ccc1Cl
InChIInChI=1S/C17H12ClN3O3/c18-15-8-6-12(10-16(15)21(22)23)17-9-7-14(24-17)11-19-20-13-4-2-1-3-5-13/h1-11,20H/b19-11-
InChIKeyHHNSGYKAVOSLNF-ODLFYWEKSA-N
MW341.75 g/mol
LogP4.95
Rot. Bonds5

About N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline

N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline (PubChem CID 6178813) has the molecular formula C17H12ClN3O3 and a molecular weight of 341.75 g/mol. Its IUPAC name is N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline
PubChem CID6178813
Molecular FormulaC17H12ClN3O3
Molecular Weight341.75 g/mol
Exact Mass341.06
IUPAC NameN-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline
SMILESO=[N+]([O-])c1cc(-c2ccc(/C=N\Nc3ccccc3)o2)ccc1Cl
InChIInChI=1S/C17H12ClN3O3/c18-15-8-6-12(10-16(15)21(22)23)17-9-7-14(24-17)11-19-20-13-4-2-1-3-5-13/h1-11,20H/b19-11-
InChIKeyHHNSGYKAVOSLNF-ODLFYWEKSA-N
XLogP4.95
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883784
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 13399292
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 5339495
N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3426936
N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-4-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-1,2,4-triazol-3-amine
CID 54586724
N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245726
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 2837615
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
CID 5497492
5-N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-6-N-(4-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3149282
N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657729
2-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-1-nitroguanidine
CID 6771045
3-chloro-N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 7227483

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline?
The IUPAC name of N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline (CID 6178813) is N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline.
What is the SMILES notation for N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline?
The canonical SMILES for N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline is O=[N+]([O-])c1cc(-c2ccc(/C=N\Nc3ccccc3)o2)ccc1Cl.
What is the InChIKey of N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline?
The InChIKey is HHNSGYKAVOSLNF-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H12ClN3O3/c18-15-8-6-12(10-16(15)21(22)23)17-9-7-14(24-17)11-19-20-13-4-2-1-3-5-13/h1-11,20H/b19-11-.
What are the key properties of N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline?
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline has a molecular weight of 341.75 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline is sourced from PubChem (CID 6178813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).