2-(2,6-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C23H20F3N3O2 — CID 45165940

IUPAC2-(2,6-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCc1cnc(C)c(-c2ccc(F)c3c2OC(CNC(=O)Cc2c(F)cccc2F)C3)n1
InChIInChI=1S/C23H20F3N3O2/c1-12-10-27-13(2)22(29-12)15-6-7-20(26)17-8-14(31-23(15)17)11-28-21(30)9-16-18(24)4-3-5-19(16)25/h3-7,10,14H,8-9,11H2,1-2H3,(H,28,30)
InChIKeyGRVCAQVXDHYZEN-UHFFFAOYSA-N
MW427.43 g/mol
LogP3.84
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

2-(2,6-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 45165940) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
PubChem CID45165940
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name2-(2,6-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCc1cnc(C)c(-c2ccc(F)c3c2OC(CNC(=O)Cc2c(F)cccc2F)C3)n1
InChIInChI=1S/C23H20F3N3O2/c1-12-10-27-13(2)22(29-12)15-6-7-20(26)17-8-14(31-23(15)17)11-28-21(30)9-16-18(24)4-3-5-19(16)25/h3-7,10,14H,8-9,11H2,1-2H3,(H,28,30)
InChIKeyGRVCAQVXDHYZEN-UHFFFAOYSA-N
XLogP3.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Suvecaltamide
CID 24765479
2-[4-(3-methylpyrazin-2-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 42609962
N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 155818570
5,11-Dihydro-10-oxa-1-aza-dibenzo[a,d]cycloheptene-5-carboxylic acid (2,6-diisopropyl-phenyl)-amide
CID 10363625
N-[(3-fluorophenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 11496101
4-(4-acetamidophenyl)-N-benzyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 46942921
N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 46943464
N-{[5-(3,6-dimethyl-2-pyrazinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-2-(2-methyl-1H-indol-3-yl)acetamide
CID 45166280
3-(2-fluorophenyl)-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45166729
N-benzyl-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 49778387
N-(4-acetamidophenyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 49789482
N-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
CID 53318391

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 45165940) is 2-(2,6-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is Cc1cnc(C)c(-c2ccc(F)c3c2OC(CNC(=O)Cc2c(F)cccc2F)C3)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The InChIKey is GRVCAQVXDHYZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c1-12-10-27-13(2)22(29-12)15-6-7-20(26)17-8-14(31-23(15)17)11-28-21(30)9-16-18(24)4-3-5-19(16)25/h3-7,10,14H,8-9,11H2,1-2H3,(H,28,30).
What are the key properties of 2-(2,6-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
2-(2,6-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 427.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 45165940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).