ethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate

C11H11FN2O2 — CID 58475437

IUPACethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate
SMILESCCOC(=O)Nc1cc(C)c(F)cc1C#N
InChIInChI=1S/C11H11FN2O2/c1-3-16-11(15)14-10-4-7(2)9(12)5-8(10)6-13/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyZUFNIRVMQPWUIY-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.57
Rot. Bonds2

About ethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate

ethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate (PubChem CID 58475437) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is ethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate
PubChem CID58475437
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Nameethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate
SMILESCCOC(=O)Nc1cc(C)c(F)cc1C#N
InChIInChI=1S/C11H11FN2O2/c1-3-16-11(15)14-10-4-7(2)9(12)5-8(10)6-13/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyZUFNIRVMQPWUIY-UHFFFAOYSA-N
XLogP2.57
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate?
The IUPAC name of ethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate (CID 58475437) is ethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate.
What is the SMILES notation for ethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate?
The canonical SMILES for ethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate is CCOC(=O)Nc1cc(C)c(F)cc1C#N.
What is the InChIKey of ethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate?
The InChIKey is ZUFNIRVMQPWUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-3-16-11(15)14-10-4-7(2)9(12)5-8(10)6-13/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate?
ethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate has a molecular weight of 222.22 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-cyano-4-fluoro-5-methylphenyl)carbamate is sourced from PubChem (CID 58475437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).