N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-propan-2-yloxybenzamide

C23H22FN3O3 — CID 45165667

IUPACN-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC2Cc3cc(F)cc(-c4cnccn4)c3O2)cc1
InChIInChI=1S/C23H22FN3O3/c1-14(2)29-18-5-3-15(4-6-18)23(28)27-12-19-10-16-9-17(24)11-20(22(16)30-19)21-13-25-7-8-26-21/h3-9,11,13-14,19H,10,12H2,1-2H3,(H,27,28)
InChIKeyLADCUTUZHAZJNV-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.80
Rot. Bonds6

About N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-propan-2-yloxybenzamide

N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-propan-2-yloxybenzamide (PubChem CID 45165667) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-propan-2-yloxybenzamide
PubChem CID45165667
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC NameN-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC2Cc3cc(F)cc(-c4cnccn4)c3O2)cc1
InChIInChI=1S/C23H22FN3O3/c1-14(2)29-18-5-3-15(4-6-18)23(28)27-12-19-10-16-9-17(24)11-20(22(16)30-19)21-13-25-7-8-26-21/h3-9,11,13-14,19H,10,12H2,1-2H3,(H,27,28)
InChIKeyLADCUTUZHAZJNV-UHFFFAOYSA-N
XLogP3.80
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-propan-2-yloxybenzamide (CID 45165667) is N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCC2Cc3cc(F)cc(-c4cnccn4)c3O2)cc1.
What is the InChIKey of N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-propan-2-yloxybenzamide?
The InChIKey is LADCUTUZHAZJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-14(2)29-18-5-3-15(4-6-18)23(28)27-12-19-10-16-9-17(24)11-20(22(16)30-19)21-13-25-7-8-26-21/h3-9,11,13-14,19H,10,12H2,1-2H3,(H,27,28).
What are the key properties of N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-propan-2-yloxybenzamide?
N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-propan-2-yloxybenzamide has a molecular weight of 407.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 45165667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).