phenyl N-benzylbenzenecarboximidate

C20H17NO — CID 4210228

IUPACphenyl N-benzylbenzenecarboximidate
SMILESc1ccc(C/N=C(/Oc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17NO/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h1-15H,16H2/b21-20+
InChIKeyKQUPWUACXWYBGR-QZQOTICOSA-N
MW287.36 g/mol
LogP4.71
Rot. Bonds4

About phenyl N-benzylbenzenecarboximidate

phenyl N-benzylbenzenecarboximidate (PubChem CID 4210228) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is phenyl N-benzylbenzenecarboximidate.

Molecular Properties

Compound Namephenyl N-benzylbenzenecarboximidate
PubChem CID4210228
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Namephenyl N-benzylbenzenecarboximidate
SMILESc1ccc(C/N=C(/Oc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17NO/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h1-15H,16H2/b21-20+
InChIKeyKQUPWUACXWYBGR-QZQOTICOSA-N
XLogP4.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl N-benzylbenzenecarboximidate?
The IUPAC name of phenyl N-benzylbenzenecarboximidate (CID 4210228) is phenyl N-benzylbenzenecarboximidate.
What is the SMILES notation for phenyl N-benzylbenzenecarboximidate?
The canonical SMILES for phenyl N-benzylbenzenecarboximidate is c1ccc(C/N=C(/Oc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of phenyl N-benzylbenzenecarboximidate?
The InChIKey is KQUPWUACXWYBGR-QZQOTICOSA-N. The full InChI is InChI=1S/C20H17NO/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h1-15H,16H2/b21-20+.
What are the key properties of phenyl N-benzylbenzenecarboximidate?
phenyl N-benzylbenzenecarboximidate has a molecular weight of 287.36 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-benzylbenzenecarboximidate is sourced from PubChem (CID 4210228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).