2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide

C15H16FNO2 — CID 123141372

IUPAC2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide
SMILESC=C1C(C(=O)NC)=C(c2ccc(F)cc2)OC1(C)C
InChIInChI=1S/C15H16FNO2/c1-9-12(14(18)17-4)13(19-15(9,2)3)10-5-7-11(16)8-6-10/h5-8H,1H2,2-4H3,(H,17,18)
InChIKeyMVZNDRWWSUXMGZ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.65
Rot. Bonds2

About 2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide

2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide (PubChem CID 123141372) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide
PubChem CID123141372
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide
SMILESC=C1C(C(=O)NC)=C(c2ccc(F)cc2)OC1(C)C
InChIInChI=1S/C15H16FNO2/c1-9-12(14(18)17-4)13(19-15(9,2)3)10-5-7-11(16)8-6-10/h5-8H,1H2,2-4H3,(H,17,18)
InChIKeyMVZNDRWWSUXMGZ-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide (CID 123141372) is 2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide is C=C1C(C(=O)NC)=C(c2ccc(F)cc2)OC1(C)C.
What is the InChIKey of 2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide?
The InChIKey is MVZNDRWWSUXMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-9-12(14(18)17-4)13(19-15(9,2)3)10-5-7-11(16)8-6-10/h5-8H,1H2,2-4H3,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide?
2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide is sourced from PubChem (CID 123141372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).