methyl N-phenylbenzenecarboximidate

C14H13NO — CID 10536734

IUPACmethyl N-phenylbenzenecarboximidate
SMILESCO/C(=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO/c1-16-14(12-8-4-2-5-9-12)15-13-10-6-3-7-11-13/h2-11H,1H3/b15-14-
InChIKeyKDKHRAVKGIIQHF-PFONDFGASA-N
MW211.26 g/mol
LogP3.41
Rot. Bonds2

About methyl N-phenylbenzenecarboximidate

methyl N-phenylbenzenecarboximidate (PubChem CID 10536734) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl N-phenylbenzenecarboximidate.

Molecular Properties

Compound Namemethyl N-phenylbenzenecarboximidate
PubChem CID10536734
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Namemethyl N-phenylbenzenecarboximidate
SMILESCO/C(=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO/c1-16-14(12-8-4-2-5-9-12)15-13-10-6-3-7-11-13/h2-11H,1H3/b15-14-
InChIKeyKDKHRAVKGIIQHF-PFONDFGASA-N
XLogP3.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.41
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 methyl N-phenylbenzenecarboximidate?
The IUPAC name of methyl N-phenylbenzenecarboximidate (CID 10536734) is methyl N-phenylbenzenecarboximidate.
What is the SMILES notation for methyl N-phenylbenzenecarboximidate?
The canonical SMILES for methyl N-phenylbenzenecarboximidate is CO/C(=N\c1ccccc1)c1ccccc1.
What is the InChIKey of methyl N-phenylbenzenecarboximidate?
The InChIKey is KDKHRAVKGIIQHF-PFONDFGASA-N. The full InChI is InChI=1S/C14H13NO/c1-16-14(12-8-4-2-5-9-12)15-13-10-6-3-7-11-13/h2-11H,1H3/b15-14-.
What are the key properties of methyl N-phenylbenzenecarboximidate?
methyl N-phenylbenzenecarboximidate has a molecular weight of 211.26 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-phenylbenzenecarboximidate is sourced from PubChem (CID 10536734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).