N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide

C17H20FNO2 — CID 57328561

IUPACN-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NC(C)(C)C)C(c2ccc(F)cc2)OC1
InChIInChI=1S/C17H20FNO2/c1-5-11-10-21-15(12-6-8-13(18)9-7-12)14(11)16(20)19-17(2,3)4/h5-9,15H,1,10H2,2-4H3,(H,19,20)
InChIKeySOBSUQJHABLXLQ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.29
Rot. Bonds3

About N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide

N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide (PubChem CID 57328561) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
PubChem CID57328561
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NC(C)(C)C)C(c2ccc(F)cc2)OC1
InChIInChI=1S/C17H20FNO2/c1-5-11-10-21-15(12-6-8-13(18)9-7-12)14(11)16(20)19-17(2,3)4/h5-9,15H,1,10H2,2-4H3,(H,19,20)
InChIKeySOBSUQJHABLXLQ-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide?
The IUPAC name of N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide (CID 57328561) is N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide.
What is the SMILES notation for N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide?
The canonical SMILES for N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide is C=CC1=C(C(=O)NC(C)(C)C)C(c2ccc(F)cc2)OC1.
What is the InChIKey of N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide?
The InChIKey is SOBSUQJHABLXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-5-11-10-21-15(12-6-8-13(18)9-7-12)14(11)16(20)19-17(2,3)4/h5-9,15H,1,10H2,2-4H3,(H,19,20).
What are the key properties of N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide?
N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide has a molecular weight of 289.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide is sourced from PubChem (CID 57328561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).