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

C15H14FNO3 — CID 3243530

IUPACN-[(4-fluorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3/c1-9-7-13(18)20-10(2)14(9)15(19)17-8-11-3-5-12(16)6-4-11/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyZDWZETSYFZODNQ-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.33
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 3243530) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID3243530
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3/c1-9-7-13(18)20-10(2)14(9)15(19)17-8-11-3-5-12(16)6-4-11/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyZDWZETSYFZODNQ-UHFFFAOYSA-N
XLogP2.33
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 3243530) is N-[(4-fluorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is ZDWZETSYFZODNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9-7-13(18)20-10(2)14(9)15(19)17-8-11-3-5-12(16)6-4-11/h3-7H,8H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-[(4-fluorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 3243530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).