N-(3-chloro-4-fluorophenyl)-1-(2-nitrophenyl)methanimine

C13H8ClFN2O2 — CID 1278797

IUPACN-(3-chloro-4-fluorophenyl)-1-(2-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N/c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8ClFN2O2/c14-11-7-10(5-6-12(11)15)16-8-9-3-1-2-4-13(9)17(18)19/h1-8H/b16-8+
InChIKeyNRJBBKUTNOPAAM-LZYBPNLTSA-N
MW278.67 g/mol
LogP4.14
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-1-(2-nitrophenyl)methanimine

N-(3-chloro-4-fluorophenyl)-1-(2-nitrophenyl)methanimine (PubChem CID 1278797) has the molecular formula C13H8ClFN2O2 and a molecular weight of 278.67 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(2-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(2-nitrophenyl)methanimine
PubChem CID1278797
Molecular FormulaC13H8ClFN2O2
Molecular Weight278.67 g/mol
Exact Mass278.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(2-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N/c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8ClFN2O2/c14-11-7-10(5-6-12(11)15)16-8-9-3-1-2-4-13(9)17(18)19/h1-8H/b16-8+
InChIKeyNRJBBKUTNOPAAM-LZYBPNLTSA-N
XLogP4.14
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-Nitrobenzylidene)-P-toluidine
CID 794913
Benzenamine, 3,5-dichloro-N-[(4-fluorophenyl)methylene]-
CID 690809
N-Benzylidene-3-chloroaniline
CID 525549
Benzaldehyde-4-chlorophenylnitrone
CID 275545
N-(2-Nitrobenzylidene)aniline
CID 86504
N-(3-Nitrobenzylidene)-O-toluidine
CID 292086
3-Chloro-N-(3-nitrobenzylidene)-aniline
CID 306791
N-(2-Chlorobenzylidene)-4-fluoroaniline
CID 16217818
(4-Chlorophenyl)(4-fluorobenzylidene)azane oxide
CID 869589
4-nitro-N-[(E)-(2-nitrophenyl)methylidene]aniline
CID 2841445
N-(3-chlorophenyl)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 3780203
Nitrone, N-(p-chlorophenyl)-alpha-phenyl-
CID 5371523

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(2-nitrophenyl)methanimine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(2-nitrophenyl)methanimine (CID 1278797) is N-(3-chloro-4-fluorophenyl)-1-(2-nitrophenyl)methanimine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(2-nitrophenyl)methanimine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(2-nitrophenyl)methanimine is O=[N+]([O-])c1ccccc1/C=N/c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(2-nitrophenyl)methanimine?
The InChIKey is NRJBBKUTNOPAAM-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H8ClFN2O2/c14-11-7-10(5-6-12(11)15)16-8-9-3-1-2-4-13(9)17(18)19/h1-8H/b16-8+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(2-nitrophenyl)methanimine?
N-(3-chloro-4-fluorophenyl)-1-(2-nitrophenyl)methanimine has a molecular weight of 278.67 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(2-nitrophenyl)methanimine is sourced from PubChem (CID 1278797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).