(2-cyanophenyl) N-phenylcarbamate

C14H10N2O2 — CID 13143928

IUPAC(2-cyanophenyl) N-phenylcarbamate
SMILESN#Cc1ccccc1OC(=O)Nc1ccccc1
InChIInChI=1S/C14H10N2O2/c15-10-11-6-4-5-9-13(11)18-14(17)16-12-7-2-1-3-8-12/h1-9H,(H,16,17)
InChIKeyJJPXSZLCBRATOD-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.17
Rot. Bonds2

About (2-cyanophenyl) N-phenylcarbamate

(2-cyanophenyl) N-phenylcarbamate (PubChem CID 13143928) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is (2-cyanophenyl) N-phenylcarbamate.

Molecular Properties

Compound Name(2-cyanophenyl) N-phenylcarbamate
PubChem CID13143928
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name(2-cyanophenyl) N-phenylcarbamate
SMILESN#Cc1ccccc1OC(=O)Nc1ccccc1
InChIInChI=1S/C14H10N2O2/c15-10-11-6-4-5-9-13(11)18-14(17)16-12-7-2-1-3-8-12/h1-9H,(H,16,17)
InChIKeyJJPXSZLCBRATOD-UHFFFAOYSA-N
XLogP3.17
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl) N-phenylcarbamate?
The IUPAC name of (2-cyanophenyl) N-phenylcarbamate (CID 13143928) is (2-cyanophenyl) N-phenylcarbamate.
What is the SMILES notation for (2-cyanophenyl) N-phenylcarbamate?
The canonical SMILES for (2-cyanophenyl) N-phenylcarbamate is N#Cc1ccccc1OC(=O)Nc1ccccc1.
What is the InChIKey of (2-cyanophenyl) N-phenylcarbamate?
The InChIKey is JJPXSZLCBRATOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-10-11-6-4-5-9-13(11)18-14(17)16-12-7-2-1-3-8-12/h1-9H,(H,16,17).
What are the key properties of (2-cyanophenyl) N-phenylcarbamate?
(2-cyanophenyl) N-phenylcarbamate has a molecular weight of 238.25 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl) N-phenylcarbamate is sourced from PubChem (CID 13143928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).