1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide

C24H32F2N2O6 — CID 166159999

IUPAC1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide
SMILESCOCC(O)c1ccc(NC(=O)C2C[C@H](C)C(C)O2)cn1.COCCOc1cccc(F)c1F
InChIInChI=1S/C15H22N2O4.C9H10F2O2/c1-9-6-14(21-10(9)2)15(19)17-11-4-5-12(16-7-11)13(18)8-20-3;1-12-5-6-13-8-4-2-3-7(10)9(8)11/h4-5,7,9-10,13-14,18H,6,8H2,1-3H3,(H,17,19);2-4H,5-6H2,1H3/t9-,10?,13?,14?;/m0./s1
InChIKeySMLFEKNHIKBQFL-LQVCHUMISA-N
MW482.52 g/mol
LogP3.50
Rot. Bonds9

About 1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide

1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide (PubChem CID 166159999) has the molecular formula C24H32F2N2O6 and a molecular weight of 482.52 g/mol. Its IUPAC name is 1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide
PubChem CID166159999
Molecular FormulaC24H32F2N2O6
Molecular Weight482.52 g/mol
Exact Mass482.22
IUPAC Name1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide
SMILESCOCC(O)c1ccc(NC(=O)C2C[C@H](C)C(C)O2)cn1.COCCOc1cccc(F)c1F
InChIInChI=1S/C15H22N2O4.C9H10F2O2/c1-9-6-14(21-10(9)2)15(19)17-11-4-5-12(16-7-11)13(18)8-20-3;1-12-5-6-13-8-4-2-3-7(10)9(8)11/h4-5,7,9-10,13-14,18H,6,8H2,1-3H3,(H,17,19);2-4H,5-6H2,1H3/t9-,10?,13?,14?;/m0./s1
InChIKeySMLFEKNHIKBQFL-LQVCHUMISA-N
XLogP3.50
TPSA99.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide
CID 166160438
6-[2-(2,3-difluorophenoxy)ethyl]-2-oxa-6-azaspiro[3.3]heptane;4-[[(4S)-4,5-dimethyloxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 166159356
(3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1R)-1-hydroxy-2-methoxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167299107
2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 166161239
N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166158897
1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
CID 177358357
3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166159979
(2R,3S,4S)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1S)-2-fluoro-1-hydroxyethyl]-3-pyridinyl]-4,5,5-trimethyloxolane-2-carboxamide
CID 170395744
2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide
CID 166160861
N-(3H-benzimidazol-5-yl)-5-methyloxolane-2-carboxamide;1,2-difluoro-3-methoxybenzene
CID 166160168
1,2-difluoro-3-methoxybenzene;5-methyl-N-[2-(methylamino)-4-pyridinyl]oxolane-2-carboxamide
CID 166161077
1-[5-(2,3-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 112585589

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide?
The IUPAC name of 1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide (CID 166159999) is 1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide.
What is the SMILES notation for 1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide?
The canonical SMILES for 1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide is COCC(O)c1ccc(NC(=O)C2C[C@H](C)C(C)O2)cn1.COCCOc1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide?
The InChIKey is SMLFEKNHIKBQFL-LQVCHUMISA-N. The full InChI is InChI=1S/C15H22N2O4.C9H10F2O2/c1-9-6-14(21-10(9)2)15(19)17-11-4-5-12(16-7-11)13(18)8-20-3;1-12-5-6-13-8-4-2-3-7(10)9(8)11/h4-5,7,9-10,13-14,18H,6,8H2,1-3H3,(H,17,19);2-4H,5-6H2,1H3/t9-,10?,13?,14?;/m0./s1.
What are the key properties of 1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide?
1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 166159999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).