N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide

C19H13ClFN3O2 — CID 58487178

IUPACN-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide
SMILESO=C(Nc1cnc(-c2cc3c(cc2Cl)CCO3)cn1)c1ccccc1F
InChIInChI=1S/C19H13ClFN3O2/c20-14-7-11-5-6-26-17(11)8-13(14)16-9-23-18(10-22-16)24-19(25)12-3-1-2-4-15(12)21/h1-4,7-10H,5-6H2,(H,23,24,25)
InChIKeyXMFXEAIFAZSRAW-UHFFFAOYSA-N
MW369.78 g/mol
LogP4.12
Rot. Bonds3

About N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide

N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide (PubChem CID 58487178) has the molecular formula C19H13ClFN3O2 and a molecular weight of 369.78 g/mol. Its IUPAC name is N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide
PubChem CID58487178
Molecular FormulaC19H13ClFN3O2
Molecular Weight369.78 g/mol
Exact Mass369.07
IUPAC NameN-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide
SMILESO=C(Nc1cnc(-c2cc3c(cc2Cl)CCO3)cn1)c1ccccc1F
InChIInChI=1S/C19H13ClFN3O2/c20-14-7-11-5-6-26-17(11)8-13(14)16-9-23-18(10-22-16)24-19(25)12-3-1-2-4-15(12)21/h1-4,7-10H,5-6H2,(H,23,24,25)
InChIKeyXMFXEAIFAZSRAW-UHFFFAOYSA-N
XLogP4.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.78
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide (CID 58487178) is N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide is O=C(Nc1cnc(-c2cc3c(cc2Cl)CCO3)cn1)c1ccccc1F.
What is the InChIKey of N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide?
The InChIKey is XMFXEAIFAZSRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O2/c20-14-7-11-5-6-26-17(11)8-13(14)16-9-23-18(10-22-16)24-19(25)12-3-1-2-4-15(12)21/h1-4,7-10H,5-6H2,(H,23,24,25).
What are the key properties of N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide?
N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide has a molecular weight of 369.78 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 58487178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).