[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate

C19H20FNO4 — CID 3220312

IUPAC[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(OC(C(=O)NC1CCCCC1)c1ccccc1F)c1ccco1
InChIInChI=1S/C19H20FNO4/c20-15-10-5-4-9-14(15)17(25-19(23)16-11-6-12-24-16)18(22)21-13-7-2-1-3-8-13/h4-6,9-13,17H,1-3,7-8H2,(H,21,22)
InChIKeyVQBJLMCUQWKTQN-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.77
Rot. Bonds5

About [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate

[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate (PubChem CID 3220312) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
PubChem CID3220312
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(OC(C(=O)NC1CCCCC1)c1ccccc1F)c1ccco1
InChIInChI=1S/C19H20FNO4/c20-15-10-5-4-9-14(15)17(25-19(23)16-11-6-12-24-16)18(22)21-13-7-2-1-3-8-13/h4-6,9-13,17H,1-3,7-8H2,(H,21,22)
InChIKeyVQBJLMCUQWKTQN-UHFFFAOYSA-N
XLogP3.77
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate (CID 3220312) is [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate is O=C(OC(C(=O)NC1CCCCC1)c1ccccc1F)c1ccco1.
What is the InChIKey of [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is VQBJLMCUQWKTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c20-15-10-5-4-9-14(15)17(25-19(23)16-11-6-12-24-16)18(22)21-13-7-2-1-3-8-13/h4-6,9-13,17H,1-3,7-8H2,(H,21,22).
What are the key properties of [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate?
[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 345.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 3220312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).