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

C14H12FNO3 — CID 3467018

IUPACN-(3-fluorophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H12FNO3/c1-8-6-12(17)19-9(2)13(8)14(18)16-11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H,16,18)
InChIKeyVQXJTNXJSNLNEM-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.65
Rot. Bonds2

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

N-(3-fluorophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 3467018) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID3467018
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC NameN-(3-fluorophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H12FNO3/c1-8-6-12(17)19-9(2)13(8)14(18)16-11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H,16,18)
InChIKeyVQXJTNXJSNLNEM-UHFFFAOYSA-N
XLogP2.65
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 3467018) is N-(3-fluorophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is VQXJTNXJSNLNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-8-6-12(17)19-9(2)13(8)14(18)16-11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H,16,18).
What are the key properties of N-(3-fluorophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-(3-fluorophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 3467018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).