1-(4-bromo-3-nitrophenyl)-N-naphthalen-2-ylmethanimine

C17H11BrN2O2 — CID 1247282

IUPAC1-(4-bromo-3-nitrophenyl)-N-naphthalen-2-ylmethanimine
SMILESO=[N+]([O-])c1cc(/C=N/c2ccc3ccccc3c2)ccc1Br
InChIInChI=1S/C17H11BrN2O2/c18-16-8-5-12(9-17(16)20(21)22)11-19-15-7-6-13-3-1-2-4-14(13)10-15/h1-11H/b19-11+
InChIKeyRJDUYHJBVARSFX-YBFXNURJSA-N
MW355.19 g/mol
LogP5.26
Rot. Bonds3

About 1-(4-bromo-3-nitrophenyl)-N-naphthalen-2-ylmethanimine

1-(4-bromo-3-nitrophenyl)-N-naphthalen-2-ylmethanimine (PubChem CID 1247282) has the molecular formula C17H11BrN2O2 and a molecular weight of 355.19 g/mol. Its IUPAC name is 1-(4-bromo-3-nitrophenyl)-N-naphthalen-2-ylmethanimine.

Molecular Properties

Compound Name1-(4-bromo-3-nitrophenyl)-N-naphthalen-2-ylmethanimine
PubChem CID1247282
Molecular FormulaC17H11BrN2O2
Molecular Weight355.19 g/mol
Exact Mass354.00
IUPAC Name1-(4-bromo-3-nitrophenyl)-N-naphthalen-2-ylmethanimine
SMILESO=[N+]([O-])c1cc(/C=N/c2ccc3ccccc3c2)ccc1Br
InChIInChI=1S/C17H11BrN2O2/c18-16-8-5-12(9-17(16)20(21)22)11-19-15-7-6-13-3-1-2-4-14(13)10-15/h1-11H/b19-11+
InChIKeyRJDUYHJBVARSFX-YBFXNURJSA-N
XLogP5.26
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.19
LogP ≤ 55.26
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-bromo-3-nitrophenyl)-N-naphthalen-2-ylmethanimine?
The IUPAC name of 1-(4-bromo-3-nitrophenyl)-N-naphthalen-2-ylmethanimine (CID 1247282) is 1-(4-bromo-3-nitrophenyl)-N-naphthalen-2-ylmethanimine.
What is the SMILES notation for 1-(4-bromo-3-nitrophenyl)-N-naphthalen-2-ylmethanimine?
The canonical SMILES for 1-(4-bromo-3-nitrophenyl)-N-naphthalen-2-ylmethanimine is O=[N+]([O-])c1cc(/C=N/c2ccc3ccccc3c2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-nitrophenyl)-N-naphthalen-2-ylmethanimine?
The InChIKey is RJDUYHJBVARSFX-YBFXNURJSA-N. The full InChI is InChI=1S/C17H11BrN2O2/c18-16-8-5-12(9-17(16)20(21)22)11-19-15-7-6-13-3-1-2-4-14(13)10-15/h1-11H/b19-11+.
What are the key properties of 1-(4-bromo-3-nitrophenyl)-N-naphthalen-2-ylmethanimine?
1-(4-bromo-3-nitrophenyl)-N-naphthalen-2-ylmethanimine has a molecular weight of 355.19 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-nitrophenyl)-N-naphthalen-2-ylmethanimine is sourced from PubChem (CID 1247282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).