N-[2-(4-fluorophenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

C16H16FNO3 — CID 919264

IUPACN-[2-(4-fluorophenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C16H16FNO3/c1-10-9-14(19)21-11(2)15(10)16(20)18-8-7-12-3-5-13(17)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,18,20)
InChIKeyTVYFCTXNLGNRLE-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.37
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 919264) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID919264
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C16H16FNO3/c1-10-9-14(19)21-11(2)15(10)16(20)18-8-7-12-3-5-13(17)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,18,20)
InChIKeyTVYFCTXNLGNRLE-UHFFFAOYSA-N
XLogP2.37
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 919264) is N-[2-(4-fluorophenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is TVYFCTXNLGNRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-10-9-14(19)21-11(2)15(10)16(20)18-8-7-12-3-5-13(17)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 919264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).