N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine

C19H12ClNO — CID 12703740

IUPACN-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine
SMILESClc1ccc(/N=C/c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C19H12ClNO/c20-14-6-8-15(9-7-14)21-12-13-5-10-19-17(11-13)16-3-1-2-4-18(16)22-19/h1-12H/b21-12+
InChIKeyDRTYGJDYMNMRSY-CIAFOILYSA-N
MW305.76 g/mol
LogP5.99
Rot. Bonds2

About N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine

N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine (PubChem CID 12703740) has the molecular formula C19H12ClNO and a molecular weight of 305.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine
PubChem CID12703740
Molecular FormulaC19H12ClNO
Molecular Weight305.76 g/mol
Exact Mass305.06
IUPAC NameN-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine
SMILESClc1ccc(/N=C/c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C19H12ClNO/c20-14-6-8-15(9-7-14)21-12-13-5-10-19-17(11-13)16-3-1-2-4-18(16)22-19/h1-12H/b21-12+
InChIKeyDRTYGJDYMNMRSY-CIAFOILYSA-N
XLogP5.99
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.76
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine?
The IUPAC name of N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine (CID 12703740) is N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine is Clc1ccc(/N=C/c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine?
The InChIKey is DRTYGJDYMNMRSY-CIAFOILYSA-N. The full InChI is InChI=1S/C19H12ClNO/c20-14-6-8-15(9-7-14)21-12-13-5-10-19-17(11-13)16-3-1-2-4-18(16)22-19/h1-12H/b21-12+.
What are the key properties of N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine?
N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine has a molecular weight of 305.76 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine is sourced from PubChem (CID 12703740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).