N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluorobenzamide

C20H15ClFN3O2 — CID 45181959

IUPACN-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluorobenzamide
SMILESO=C(NCC1Cc2cc(-c3cnccn3)cc(Cl)c2O1)c1ccc(F)cc1
InChIInChI=1S/C20H15ClFN3O2/c21-17-9-13(18-11-23-5-6-24-18)7-14-8-16(27-19(14)17)10-25-20(26)12-1-3-15(22)4-2-12/h1-7,9,11,16H,8,10H2,(H,25,26)
InChIKeyWXOYUQQOWVHEKL-UHFFFAOYSA-N
MW383.81 g/mol
LogP3.67
Rot. Bonds4

About N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluorobenzamide

N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluorobenzamide (PubChem CID 45181959) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluorobenzamide
PubChem CID45181959
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC NameN-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluorobenzamide
SMILESO=C(NCC1Cc2cc(-c3cnccn3)cc(Cl)c2O1)c1ccc(F)cc1
InChIInChI=1S/C20H15ClFN3O2/c21-17-9-13(18-11-23-5-6-24-18)7-14-8-16(27-19(14)17)10-25-20(26)12-1-3-15(22)4-2-12/h1-7,9,11,16H,8,10H2,(H,25,26)
InChIKeyWXOYUQQOWVHEKL-UHFFFAOYSA-N
XLogP3.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluorobenzamide (CID 45181959) is N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluorobenzamide is O=C(NCC1Cc2cc(-c3cnccn3)cc(Cl)c2O1)c1ccc(F)cc1.
What is the InChIKey of N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluorobenzamide?
The InChIKey is WXOYUQQOWVHEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c21-17-9-13(18-11-23-5-6-24-18)7-14-8-16(27-19(14)17)10-25-20(26)12-1-3-15(22)4-2-12/h1-7,9,11,16H,8,10H2,(H,25,26).
What are the key properties of N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluorobenzamide?
N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluorobenzamide has a molecular weight of 383.81 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 45181959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).