[4-(cyanomethyl)phenyl] N-phenylcarbamate

C15H12N2O2 — CID 2774655

IUPAC[4-(cyanomethyl)phenyl] N-phenylcarbamate
SMILESN#CCc1ccc(OC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H12N2O2/c16-11-10-12-6-8-14(9-7-12)19-15(18)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,18)
InChIKeyMIZOYFZCTNZOGR-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.36
Rot. Bonds3

About [4-(cyanomethyl)phenyl] N-phenylcarbamate

[4-(cyanomethyl)phenyl] N-phenylcarbamate (PubChem CID 2774655) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is [4-(cyanomethyl)phenyl] N-phenylcarbamate.

Molecular Properties

Compound Name[4-(cyanomethyl)phenyl] N-phenylcarbamate
PubChem CID2774655
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name[4-(cyanomethyl)phenyl] N-phenylcarbamate
SMILESN#CCc1ccc(OC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H12N2O2/c16-11-10-12-6-8-14(9-7-12)19-15(18)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,18)
InChIKeyMIZOYFZCTNZOGR-UHFFFAOYSA-N
XLogP3.36
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(cyanomethyl)phenyl] N-phenylcarbamate?
The IUPAC name of [4-(cyanomethyl)phenyl] N-phenylcarbamate (CID 2774655) is [4-(cyanomethyl)phenyl] N-phenylcarbamate.
What is the SMILES notation for [4-(cyanomethyl)phenyl] N-phenylcarbamate?
The canonical SMILES for [4-(cyanomethyl)phenyl] N-phenylcarbamate is N#CCc1ccc(OC(=O)Nc2ccccc2)cc1.
What is the InChIKey of [4-(cyanomethyl)phenyl] N-phenylcarbamate?
The InChIKey is MIZOYFZCTNZOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-11-10-12-6-8-14(9-7-12)19-15(18)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,18).
What are the key properties of [4-(cyanomethyl)phenyl] N-phenylcarbamate?
[4-(cyanomethyl)phenyl] N-phenylcarbamate has a molecular weight of 252.27 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyanomethyl)phenyl] N-phenylcarbamate is sourced from PubChem (CID 2774655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).