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

C23H21F2N3O3 — CID 45165624

IUPACN-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2Cc3c(F)ccc(-c4nc(C)cnc4C)c3O2)cc1F
InChIInChI=1S/C23H21F2N3O3/c1-12-10-26-13(2)21(28-12)16-5-6-18(24)17-9-15(31-22(16)17)11-27-23(29)14-4-7-20(30-3)19(25)8-14/h4-8,10,15H,9,11H2,1-3H3,(H,27,29)
InChIKeyDSBCJCFXEGHOBG-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.78
Rot. Bonds5

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

N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-fluoro-4-methoxybenzamide (PubChem CID 45165624) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-fluoro-4-methoxybenzamide
PubChem CID45165624
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC NameN-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2Cc3c(F)ccc(-c4nc(C)cnc4C)c3O2)cc1F
InChIInChI=1S/C23H21F2N3O3/c1-12-10-26-13(2)21(28-12)16-5-6-18(24)17-9-15(31-22(16)17)11-27-23(29)14-4-7-20(30-3)19(25)8-14/h4-8,10,15H,9,11H2,1-3H3,(H,27,29)
InChIKeyDSBCJCFXEGHOBG-UHFFFAOYSA-N
XLogP3.78
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-fluoro-4-methoxybenzamide with MolForge

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Related Compounds

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CID 852714
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CID 9844292
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CID 23508144
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CID 23508174
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CID 67106997
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Frequently Asked Questions

What is the IUPAC name of N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-fluoro-4-methoxybenzamide (CID 45165624) is N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCC2Cc3c(F)ccc(-c4nc(C)cnc4C)c3O2)cc1F.
What is the InChIKey of N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is DSBCJCFXEGHOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c1-12-10-26-13(2)21(28-12)16-5-6-18(24)17-9-15(31-22(16)17)11-27-23(29)14-4-7-20(30-3)19(25)8-14/h4-8,10,15H,9,11H2,1-3H3,(H,27,29).
What are the key properties of N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-fluoro-4-methoxybenzamide?
N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 425.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 45165624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).