N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

C18H22FNO3 — CID 99819235

IUPACN-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NC2(c3cccc(F)c3)CCOCC2)CCCO1
InChIInChI=1S/C18H22FNO3/c1-13-16(6-3-9-23-13)17(21)20-18(7-10-22-11-8-18)14-4-2-5-15(19)12-14/h2,4-5,12H,3,6-11H2,1H3,(H,20,21)
InChIKeyWIHKKLAATKTQSN-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.03
Rot. Bonds3

About N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 99819235) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID99819235
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC NameN-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NC2(c3cccc(F)c3)CCOCC2)CCCO1
InChIInChI=1S/C18H22FNO3/c1-13-16(6-3-9-23-13)17(21)20-18(7-10-22-11-8-18)14-4-2-5-15(19)12-14/h2,4-5,12H,3,6-11H2,1H3,(H,20,21)
InChIKeyWIHKKLAATKTQSN-UHFFFAOYSA-N
XLogP3.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 99819235) is N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)NC2(c3cccc(F)c3)CCOCC2)CCCO1.
What is the InChIKey of N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is WIHKKLAATKTQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3/c1-13-16(6-3-9-23-13)17(21)20-18(7-10-22-11-8-18)14-4-2-5-15(19)12-14/h2,4-5,12H,3,6-11H2,1H3,(H,20,21).
What are the key properties of N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 99819235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).