1-(4-chloro-3-nitrophenyl)-N-(3-fluoro-4-methylphenyl)methanimine

C14H10ClFN2O2 — CID 794931

IUPAC1-(4-chloro-3-nitrophenyl)-N-(3-fluoro-4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1F
InChIInChI=1S/C14H10ClFN2O2/c1-9-2-4-11(7-13(9)16)17-8-10-3-5-12(15)14(6-10)18(19)20/h2-8H,1H3/b17-8+
InChIKeyWLWDTHMBRMSEJU-CAOOACKPSA-N
MW292.70 g/mol
LogP4.45
Rot. Bonds3

About 1-(4-chloro-3-nitrophenyl)-N-(3-fluoro-4-methylphenyl)methanimine

1-(4-chloro-3-nitrophenyl)-N-(3-fluoro-4-methylphenyl)methanimine (PubChem CID 794931) has the molecular formula C14H10ClFN2O2 and a molecular weight of 292.70 g/mol. Its IUPAC name is 1-(4-chloro-3-nitrophenyl)-N-(3-fluoro-4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-chloro-3-nitrophenyl)-N-(3-fluoro-4-methylphenyl)methanimine
PubChem CID794931
Molecular FormulaC14H10ClFN2O2
Molecular Weight292.70 g/mol
Exact Mass292.04
IUPAC Name1-(4-chloro-3-nitrophenyl)-N-(3-fluoro-4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1F
InChIInChI=1S/C14H10ClFN2O2/c1-9-2-4-11(7-13(9)16)17-8-10-3-5-12(15)14(6-10)18(19)20/h2-8H,1H3/b17-8+
InChIKeyWLWDTHMBRMSEJU-CAOOACKPSA-N
XLogP4.45
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 54.45
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-nitrophenyl)-N-(3-fluoro-4-methylphenyl)methanimine?
The IUPAC name of 1-(4-chloro-3-nitrophenyl)-N-(3-fluoro-4-methylphenyl)methanimine (CID 794931) is 1-(4-chloro-3-nitrophenyl)-N-(3-fluoro-4-methylphenyl)methanimine.
What is the SMILES notation for 1-(4-chloro-3-nitrophenyl)-N-(3-fluoro-4-methylphenyl)methanimine?
The canonical SMILES for 1-(4-chloro-3-nitrophenyl)-N-(3-fluoro-4-methylphenyl)methanimine is Cc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1F.
What is the InChIKey of 1-(4-chloro-3-nitrophenyl)-N-(3-fluoro-4-methylphenyl)methanimine?
The InChIKey is WLWDTHMBRMSEJU-CAOOACKPSA-N. The full InChI is InChI=1S/C14H10ClFN2O2/c1-9-2-4-11(7-13(9)16)17-8-10-3-5-12(15)14(6-10)18(19)20/h2-8H,1H3/b17-8+.
What are the key properties of 1-(4-chloro-3-nitrophenyl)-N-(3-fluoro-4-methylphenyl)methanimine?
1-(4-chloro-3-nitrophenyl)-N-(3-fluoro-4-methylphenyl)methanimine has a molecular weight of 292.70 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-nitrophenyl)-N-(3-fluoro-4-methylphenyl)methanimine is sourced from PubChem (CID 794931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).