1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide

C21H26F2N2O5 — CID 166160438

IUPAC1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(=O)n(C)c2)O1.COCCOc1cccc(F)c1F
InChIInChI=1S/C12H16N2O3.C9H10F2O2/c1-8-3-5-10(17-8)12(16)13-9-4-6-11(15)14(2)7-9;1-12-5-6-13-8-4-2-3-7(10)9(8)11/h4,6-8,10H,3,5H2,1-2H3,(H,13,16);2-4H,5-6H2,1H3
InChIKeyVLIKJCIIUILXED-UHFFFAOYSA-N
MW424.44 g/mol
LogP2.88
Rot. Bonds6

About 1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide

1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide (PubChem CID 166160438) has the molecular formula C21H26F2N2O5 and a molecular weight of 424.44 g/mol. Its IUPAC name is 1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide
PubChem CID166160438
Molecular FormulaC21H26F2N2O5
Molecular Weight424.44 g/mol
Exact Mass424.18
IUPAC Name1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(=O)n(C)c2)O1.COCCOc1cccc(F)c1F
InChIInChI=1S/C12H16N2O3.C9H10F2O2/c1-8-3-5-10(17-8)12(16)13-9-4-6-11(15)14(2)7-9;1-12-5-6-13-8-4-2-3-7(10)9(8)11/h4,6-8,10H,3,5H2,1-2H3,(H,13,16);2-4H,5-6H2,1H3
InChIKeyVLIKJCIIUILXED-UHFFFAOYSA-N
XLogP2.88
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-difluoro-3-methoxybenzene;N-[2-(hydroxymethyl)-3-methylimidazol-4-yl]-5-methyloxolane-2-carboxamide
CID 166160892
1,2-difluoro-3-methoxybenzene;5-methyl-N-[2-(methylamino)-4-pyridinyl]oxolane-2-carboxamide
CID 166161077
N-(3H-benzimidazol-5-yl)-5-methyloxolane-2-carboxamide;1,2-difluoro-3-methoxybenzene
CID 166160168
2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide
CID 166160861
1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide
CID 166159999
1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
CID 177358357
5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159394
3-[(2,3-difluorophenoxy)methyl]-3-fluoro-1-methylazetidine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159908
4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide
CID 166160807
3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166159979
1,2-difluoro-3-methoxybenzene;ethane;N-[2-[2-(methylamino)ethoxy]ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177357824
3-[(2,3-difluorophenoxy)methyl]-3-fluorooxetane;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159913

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide?
The IUPAC name of 1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide (CID 166160438) is 1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide.
What is the SMILES notation for 1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide?
The canonical SMILES for 1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide is CC1CCC(C(=O)Nc2ccc(=O)n(C)c2)O1.COCCOc1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide?
The InChIKey is VLIKJCIIUILXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3.C9H10F2O2/c1-8-3-5-10(17-8)12(16)13-9-4-6-11(15)14(2)7-9;1-12-5-6-13-8-4-2-3-7(10)9(8)11/h4,6-8,10H,3,5H2,1-2H3,(H,13,16);2-4H,5-6H2,1H3.
What are the key properties of 1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide?
1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide has a molecular weight of 424.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).