phenyl N-phenylbenzenecarboximidate

C19H15NO — CID 601897

IUPACphenyl N-phenylbenzenecarboximidate
SMILESc1ccc(/N=C(/Oc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15NO/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H/b20-19+
InChIKeyTYLYJDCHOAMDJM-FMQUCBEESA-N
MW273.34 g/mol
LogP4.84
Rot. Bonds3

About phenyl N-phenylbenzenecarboximidate

phenyl N-phenylbenzenecarboximidate (PubChem CID 601897) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is phenyl N-phenylbenzenecarboximidate.

Molecular Properties

Compound Namephenyl N-phenylbenzenecarboximidate
PubChem CID601897
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Namephenyl N-phenylbenzenecarboximidate
SMILESc1ccc(/N=C(/Oc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15NO/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H/b20-19+
InChIKeyTYLYJDCHOAMDJM-FMQUCBEESA-N
XLogP4.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.84
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-phenylbenzenecarboximidate?
The IUPAC name of phenyl N-phenylbenzenecarboximidate (CID 601897) is phenyl N-phenylbenzenecarboximidate.
What is the SMILES notation for phenyl N-phenylbenzenecarboximidate?
The canonical SMILES for phenyl N-phenylbenzenecarboximidate is c1ccc(/N=C(/Oc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of phenyl N-phenylbenzenecarboximidate?
The InChIKey is TYLYJDCHOAMDJM-FMQUCBEESA-N. The full InChI is InChI=1S/C19H15NO/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H/b20-19+.
What are the key properties of phenyl N-phenylbenzenecarboximidate?
phenyl N-phenylbenzenecarboximidate has a molecular weight of 273.34 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-phenylbenzenecarboximidate is sourced from PubChem (CID 601897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).