ethyl N-[4-cyano-2-fluoro-5-(4-methoxyphenoxy)phenyl]carbamate

C17H15FN2O4 — CID 22642510

IUPACethyl N-[4-cyano-2-fluoro-5-(4-methoxyphenoxy)phenyl]carbamate
SMILESCCOC(=O)Nc1cc(Oc2ccc(OC)cc2)c(C#N)cc1F
InChIInChI=1S/C17H15FN2O4/c1-3-23-17(21)20-15-9-16(11(10-19)8-14(15)18)24-13-6-4-12(22-2)5-7-13/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyBPIGUPXXHOGXEG-UHFFFAOYSA-N
MW330.32 g/mol
LogP4.07
Rot. Bonds5

About ethyl N-[4-cyano-2-fluoro-5-(4-methoxyphenoxy)phenyl]carbamate

ethyl N-[4-cyano-2-fluoro-5-(4-methoxyphenoxy)phenyl]carbamate (PubChem CID 22642510) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is ethyl N-[4-cyano-2-fluoro-5-(4-methoxyphenoxy)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-cyano-2-fluoro-5-(4-methoxyphenoxy)phenyl]carbamate
PubChem CID22642510
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Nameethyl N-[4-cyano-2-fluoro-5-(4-methoxyphenoxy)phenyl]carbamate
SMILESCCOC(=O)Nc1cc(Oc2ccc(OC)cc2)c(C#N)cc1F
InChIInChI=1S/C17H15FN2O4/c1-3-23-17(21)20-15-9-16(11(10-19)8-14(15)18)24-13-6-4-12(22-2)5-7-13/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyBPIGUPXXHOGXEG-UHFFFAOYSA-N
XLogP4.07
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-cyano-2-fluoro-5-(4-methoxyphenoxy)phenyl]carbamate?
The IUPAC name of ethyl N-[4-cyano-2-fluoro-5-(4-methoxyphenoxy)phenyl]carbamate (CID 22642510) is ethyl N-[4-cyano-2-fluoro-5-(4-methoxyphenoxy)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-cyano-2-fluoro-5-(4-methoxyphenoxy)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-cyano-2-fluoro-5-(4-methoxyphenoxy)phenyl]carbamate is CCOC(=O)Nc1cc(Oc2ccc(OC)cc2)c(C#N)cc1F.
What is the InChIKey of ethyl N-[4-cyano-2-fluoro-5-(4-methoxyphenoxy)phenyl]carbamate?
The InChIKey is BPIGUPXXHOGXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-3-23-17(21)20-15-9-16(11(10-19)8-14(15)18)24-13-6-4-12(22-2)5-7-13/h4-9H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl N-[4-cyano-2-fluoro-5-(4-methoxyphenoxy)phenyl]carbamate?
ethyl N-[4-cyano-2-fluoro-5-(4-methoxyphenoxy)phenyl]carbamate has a molecular weight of 330.32 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-cyano-2-fluoro-5-(4-methoxyphenoxy)phenyl]carbamate is sourced from PubChem (CID 22642510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).