1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine

C13H8ClFN2O2 — CID 792316

IUPAC1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(F)cc2)c1
InChIInChI=1S/C13H8ClFN2O2/c14-13-6-5-12(17(18)19)7-9(13)8-16-11-3-1-10(15)2-4-11/h1-8H/b16-8+
InChIKeyQLHJXOVVYJWQQS-LZYBPNLTSA-N
MW278.67 g/mol
LogP4.14
Rot. Bonds3

About 1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine

1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine (PubChem CID 792316) has the molecular formula C13H8ClFN2O2 and a molecular weight of 278.67 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine
PubChem CID792316
Molecular FormulaC13H8ClFN2O2
Molecular Weight278.67 g/mol
Exact Mass278.03
IUPAC Name1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(F)cc2)c1
InChIInChI=1S/C13H8ClFN2O2/c14-13-6-5-12(17(18)19)7-9(13)8-16-11-3-1-10(15)2-4-11/h1-8H/b16-8+
InChIKeyQLHJXOVVYJWQQS-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

1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine
CID 3109084
1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine
CID 792217
4-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile
CID 693503
4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline
CID 126104463
5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3100348
2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine
CID 3760612
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide
CID 9016544
3-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile
CID 794489
4-chloro-2-[(4-fluorophenyl)iminomethyl]-6-nitrophenolate
CID 6921906
propyl 4-[(2-chloro-5-nitrophenyl)methylideneamino]benzoate
CID 4504807
1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
CID 21177104

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine?
The IUPAC name of 1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine (CID 792316) is 1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine.
What is the SMILES notation for 1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine?
The canonical SMILES for 1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine is O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(F)cc2)c1.
What is the InChIKey of 1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine?
The InChIKey is QLHJXOVVYJWQQS-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H8ClFN2O2/c14-13-6-5-12(17(18)19)7-9(13)8-16-11-3-1-10(15)2-4-11/h1-8H/b16-8+.
What are the key properties of 1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine?
1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)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 1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine is sourced from PubChem (CID 792316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).