1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide

C20H22F2N2O5 — CID 166160281

IUPAC1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide
SMILESCC1CC[C@H](C(=O)Nc2cnc3c(c2)OCC3O)O1.COc1cccc(F)c1F
InChIInChI=1S/C13H16N2O4.C7H6F2O/c1-7-2-3-10(19-7)13(17)15-8-4-11-12(14-5-8)9(16)6-18-11;1-10-6-4-2-3-5(8)7(6)9/h4-5,7,9-10,16H,2-3,6H2,1H3,(H,15,17);2-4H,1H3/t7?,9?,10-;/m1./s1
InChIKeyYCVOJZUYPDEQSZ-ZDIBFDKYSA-N
MW408.40 g/mol
LogP2.99
Rot. Bonds3

About 1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide

1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide (PubChem CID 166160281) has the molecular formula C20H22F2N2O5 and a molecular weight of 408.40 g/mol. Its IUPAC name is 1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide
PubChem CID166160281
Molecular FormulaC20H22F2N2O5
Molecular Weight408.40 g/mol
Exact Mass408.15
IUPAC Name1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide
SMILESCC1CC[C@H](C(=O)Nc2cnc3c(c2)OCC3O)O1.COc1cccc(F)c1F
InChIInChI=1S/C13H16N2O4.C7H6F2O/c1-7-2-3-10(19-7)13(17)15-8-4-11-12(14-5-8)9(16)6-18-11;1-10-6-4-2-3-5(8)7(6)9/h4-5,7,9-10,16H,2-3,6H2,1H3,(H,15,17);2-4H,1H3/t7?,9?,10-;/m1./s1
InChIKeyYCVOJZUYPDEQSZ-ZDIBFDKYSA-N
XLogP2.99
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
1,2-difluoro-3-methoxybenzene;N-[2-(hydroxymethyl)-3-methylimidazol-4-yl]-5-methyloxolane-2-carboxamide
CID 166160892
1,2-difluoro-3-methoxybenzene;methyl 5-methyloxolane-2-carboxylate
CID 178082904
1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide
CID 166160830
1,2-difluoro-3-methoxybenzene;5-methyl-N-(2-methyl-4-pyridinyl)oxolane-2-carboxamide;6-oxa-3-azabicyclo[3.1.1]heptane-3-carbaldehyde
CID 166159460
1,2-difluoro-3-methoxybenzene;ethane;N-[2-[2-(methylamino)ethoxy]ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177357824
1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
CID 177358357
1,2-difluoro-3-methoxybenzene;ethane;5-methyl-N-[2-(2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide
CID 166161169
N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide;1,2-difluoro-3-methoxybenzene
CID 166159273
3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166159979
1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide
CID 166160438

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide?
The IUPAC name of 1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide (CID 166160281) is 1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for 1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for 1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide is CC1CC[C@H](C(=O)Nc2cnc3c(c2)OCC3O)O1.COc1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide?
The InChIKey is YCVOJZUYPDEQSZ-ZDIBFDKYSA-N. The full InChI is InChI=1S/C13H16N2O4.C7H6F2O/c1-7-2-3-10(19-7)13(17)15-8-4-11-12(14-5-8)9(16)6-18-11;1-10-6-4-2-3-5(8)7(6)9/h4-5,7,9-10,16H,2-3,6H2,1H3,(H,15,17);2-4H,1H3/t7?,9?,10-;/m1./s1.
What are the key properties of 1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide?
1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide has a molecular weight of 408.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-methoxybenzene;(2R)-N-(3-hydroxy-2,3-dihydrofuro[3,2-b]pyridin-6-yl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 166160281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).