N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine

C13H9ClN2O2 — CID 95564004

IUPACN-(2-chloro-4-nitrophenyl)-1-phenylmethanimine
SMILESO=[N+]([O-])c1ccc(/N=C/c2ccccc2)c(Cl)c1
InChIInChI=1S/C13H9ClN2O2/c14-12-8-11(16(17)18)6-7-13(12)15-9-10-4-2-1-3-5-10/h1-9H/b15-9+
InChIKeyHJHWDQCZTCBTMF-OQLLNIDSSA-N
MW260.68 g/mol
LogP4.00
Rot. Bonds3

About N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine

N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine (PubChem CID 95564004) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-1-phenylmethanimine
PubChem CID95564004
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC NameN-(2-chloro-4-nitrophenyl)-1-phenylmethanimine
SMILESO=[N+]([O-])c1ccc(/N=C/c2ccccc2)c(Cl)c1
InChIInChI=1S/C13H9ClN2O2/c14-12-8-11(16(17)18)6-7-13(12)15-9-10-4-2-1-3-5-10/h1-9H/b15-9+
InChIKeyHJHWDQCZTCBTMF-OQLLNIDSSA-N
XLogP4.00
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 54.00
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-(2,4-dichlorophenyl)-1-(4-nitrophenyl)methanimine
CID 690794
1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 5036579
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
N-(2-chloro-4-nitrophenyl)methanimine
CID 142216814
CID 136620756
CID 136620756
N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine
CID 927284
N-(2,6-dichloro-4-nitrophenyl)-1-[4-(2-phenylethynyl)phenyl]methanimine
CID 46502593
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
CID 102486520
2-[(2-chloro-4-methylphenyl)iminomethyl]-4-nitrophenolate
CID 7605931
2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol
CID 3614500
cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide
CID 46196484

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine (CID 95564004) is N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine is O=[N+]([O-])c1ccc(/N=C/c2ccccc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine?
The InChIKey is HJHWDQCZTCBTMF-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c14-12-8-11(16(17)18)6-7-13(12)15-9-10-4-2-1-3-5-10/h1-9H/b15-9+.
What are the key properties of N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine?
N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine has a molecular weight of 260.68 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine is sourced from PubChem (CID 95564004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).