2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline

C17H9F4N3O3 — CID 4297577

IUPAC2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
SMILESO=[N+]([O-])c1ccc(-c2ccc(C=NNc3c(F)c(F)cc(F)c3F)o2)cc1
InChIInChI=1S/C17H9F4N3O3/c18-12-7-13(19)16(21)17(15(12)20)23-22-8-11-5-6-14(27-11)9-1-3-10(4-2-9)24(25)26/h1-8,23H
InChIKeyXJDPJEVJMDISIZ-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.86
Rot. Bonds5

About 2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline

2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline (PubChem CID 4297577) has the molecular formula C17H9F4N3O3 and a molecular weight of 379.27 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
PubChem CID4297577
Molecular FormulaC17H9F4N3O3
Molecular Weight379.27 g/mol
Exact Mass379.06
IUPAC Name2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
SMILESO=[N+]([O-])c1ccc(-c2ccc(C=NNc3c(F)c(F)cc(F)c3F)o2)cc1
InChIInChI=1S/C17H9F4N3O3/c18-12-7-13(19)16(21)17(15(12)20)23-22-8-11-5-6-14(27-11)9-1-3-10(4-2-9)24(25)26/h1-8,23H
InChIKeyXJDPJEVJMDISIZ-UHFFFAOYSA-N
XLogP4.86
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline 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

2,3,5,6-tetrafluoro-N-[(4-nitrophenyl)methylideneamino]aniline
CID 3888449
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 5339495
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine
CID 44715002
4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 11840307
2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 14956043
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
4-N-(3,4-dimethylphenyl)-2-N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
CID 118986216
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 2837615
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131
6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-4-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 2860242
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 6063608

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline (CID 4297577) is 2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline is O=[N+]([O-])c1ccc(-c2ccc(C=NNc3c(F)c(F)cc(F)c3F)o2)cc1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline?
The InChIKey is XJDPJEVJMDISIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F4N3O3/c18-12-7-13(19)16(21)17(15(12)20)23-22-8-11-5-6-14(27-11)9-1-3-10(4-2-9)24(25)26/h1-8,23H.
What are the key properties of 2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline?
2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline has a molecular weight of 379.27 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline is sourced from PubChem (CID 4297577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).