ethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate

C17H13N3O2 — CID 175241672

IUPACethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate
SMILESCCOC(=O)N(c1ccccc1)c1cccc(C#N)c1C#N
InChIInChI=1S/C17H13N3O2/c1-2-22-17(21)20(14-8-4-3-5-9-14)16-10-6-7-13(11-18)15(16)12-19/h3-10H,2H2,1H3
InChIKeyTYVDDZDFBKHIMA-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.72
Rot. Bonds3

About ethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate

ethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate (PubChem CID 175241672) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is ethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate.

Molecular Properties

Compound Nameethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate
PubChem CID175241672
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Nameethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate
SMILESCCOC(=O)N(c1ccccc1)c1cccc(C#N)c1C#N
InChIInChI=1S/C17H13N3O2/c1-2-22-17(21)20(14-8-4-3-5-9-14)16-10-6-7-13(11-18)15(16)12-19/h3-10H,2H2,1H3
InChIKeyTYVDDZDFBKHIMA-UHFFFAOYSA-N
XLogP3.72
TPSA77.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate?
The IUPAC name of ethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate (CID 175241672) is ethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate.
What is the SMILES notation for ethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate?
The canonical SMILES for ethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate is CCOC(=O)N(c1ccccc1)c1cccc(C#N)c1C#N.
What is the InChIKey of ethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate?
The InChIKey is TYVDDZDFBKHIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-2-22-17(21)20(14-8-4-3-5-9-14)16-10-6-7-13(11-18)15(16)12-19/h3-10H,2H2,1H3.
What are the key properties of ethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate?
ethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate has a molecular weight of 291.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,3-dicyanophenyl)-N-phenylcarbamate is sourced from PubChem (CID 175241672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).