4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol

C17H11BrN2O4 — CID 4685118

IUPAC4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol
SMILESO=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc(O)cc3)o2)c(Br)c1
InChIInChI=1S/C17H11BrN2O4/c18-16-9-12(20(22)23)3-7-15(16)17-8-6-14(24-17)10-19-11-1-4-13(21)5-2-11/h1-10,21H/b19-10+
InChIKeyMCTYROMDLZKZTJ-VXLYETTFSA-N
MW387.19 g/mol
LogP5.07
Rot. Bonds4

About 4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol

4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol (PubChem CID 4685118) has the molecular formula C17H11BrN2O4 and a molecular weight of 387.19 g/mol. Its IUPAC name is 4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol.

Molecular Properties

Compound Name4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol
PubChem CID4685118
Molecular FormulaC17H11BrN2O4
Molecular Weight387.19 g/mol
Exact Mass385.99
IUPAC Name4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol
SMILESO=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc(O)cc3)o2)c(Br)c1
InChIInChI=1S/C17H11BrN2O4/c18-16-9-12(20(22)23)3-7-15(16)17-8-6-14(24-17)10-19-11-1-4-13(21)5-2-11/h1-10,21H/b19-10+
InChIKeyMCTYROMDLZKZTJ-VXLYETTFSA-N
XLogP5.07
TPSA88.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.19
LogP ≤ 55.07
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-[(E)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 96892341
N-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-2-cyanoacetamide
CID 3747080
N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126397426
N-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4036046
4-[(E)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 5342444
2-bromo-4-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 137076581
N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-3-chlorobenzamide
CID 6154396
(E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-(4-iodophenyl)prop-2-enenitrile
CID 126375951
1-[(Z)-[5-(2-bromo-5-nitrophenyl)furan-2-yl]methylideneamino]-3-[(E)-[5-(2-bromo-5-nitrophenyl)furan-2-yl]methylideneamino]urea
CID 18529994
4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol
CID 122518423
3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-1-(4-methylphenyl)prop-2-en-1-one
CID 4985952
5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride
CID 23009302

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol?
The IUPAC name of 4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol (CID 4685118) is 4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol.
What is the SMILES notation for 4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol?
The canonical SMILES for 4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol is O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc(O)cc3)o2)c(Br)c1.
What is the InChIKey of 4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol?
The InChIKey is MCTYROMDLZKZTJ-VXLYETTFSA-N. The full InChI is InChI=1S/C17H11BrN2O4/c18-16-9-12(20(22)23)3-7-15(16)17-8-6-14(24-17)10-19-11-1-4-13(21)5-2-11/h1-10,21H/b19-10+.
What are the key properties of 4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol?
4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol has a molecular weight of 387.19 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol is sourced from PubChem (CID 4685118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).