N-[(2,3-difluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide

C19H21F2NO3 — CID 169417361

IUPACN-[(2,3-difluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NCc2cccc(F)c2F)c(=O)o1
InChIInChI=1S/C19H21F2NO3/c1-4-6-11(2)15-9-12(3)16(19(24)25-15)18(23)22-10-13-7-5-8-14(20)17(13)21/h5,7-9,11H,4,6,10H2,1-3H3,(H,22,23)
InChIKeyBVLAAACJVVZOBY-UHFFFAOYSA-N
MW349.38 g/mol
LogP4.06
Rot. Bonds6

About N-[(2,3-difluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide

N-[(2,3-difluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide (PubChem CID 169417361) has the molecular formula C19H21F2NO3 and a molecular weight of 349.38 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
PubChem CID169417361
Molecular FormulaC19H21F2NO3
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC NameN-[(2,3-difluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NCc2cccc(F)c2F)c(=O)o1
InChIInChI=1S/C19H21F2NO3/c1-4-6-11(2)15-9-12(3)16(19(24)25-15)18(23)22-10-13-7-5-8-14(20)17(13)21/h5,7-9,11H,4,6,10H2,1-3H3,(H,22,23)
InChIKeyBVLAAACJVVZOBY-UHFFFAOYSA-N
XLogP4.06
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide (CID 169417361) is N-[(2,3-difluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide is CCCC(C)c1cc(C)c(C(=O)NCc2cccc(F)c2F)c(=O)o1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The InChIKey is BVLAAACJVVZOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3/c1-4-6-11(2)15-9-12(3)16(19(24)25-15)18(23)22-10-13-7-5-8-14(20)17(13)21/h5,7-9,11H,4,6,10H2,1-3H3,(H,22,23).
What are the key properties of N-[(2,3-difluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
N-[(2,3-difluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide has a molecular weight of 349.38 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide is sourced from PubChem (CID 169417361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).