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

C17H17ClN4O3 — CID 126462947

IUPAC2-acetamido-N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
SMILESCC(=O)NCC(=O)NCC1Cc2cc(-c3cnccn3)cc(Cl)c2O1
InChIInChI=1S/C17H17ClN4O3/c1-10(23)21-9-16(24)22-7-13-5-12-4-11(6-14(18)17(12)25-13)15-8-19-2-3-20-15/h2-4,6,8,13H,5,7,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyIFEPULFQSBAJFA-UHFFFAOYSA-N
MW360.80 g/mol
LogP1.35
Rot. Bonds5

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

2-acetamido-N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide (PubChem CID 126462947) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is 2-acetamido-N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
PubChem CID126462947
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name2-acetamido-N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
SMILESCC(=O)NCC(=O)NCC1Cc2cc(-c3cnccn3)cc(Cl)c2O1
InChIInChI=1S/C17H17ClN4O3/c1-10(23)21-9-16(24)22-7-13-5-12-4-11(6-14(18)17(12)25-13)15-8-19-2-3-20-15/h2-4,6,8,13H,5,7,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyIFEPULFQSBAJFA-UHFFFAOYSA-N
XLogP1.35
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide?
The IUPAC name of 2-acetamido-N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide (CID 126462947) is 2-acetamido-N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-acetamido-N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide is CC(=O)NCC(=O)NCC1Cc2cc(-c3cnccn3)cc(Cl)c2O1.
What is the InChIKey of 2-acetamido-N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide?
The InChIKey is IFEPULFQSBAJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c1-10(23)21-9-16(24)22-7-13-5-12-4-11(6-14(18)17(12)25-13)15-8-19-2-3-20-15/h2-4,6,8,13H,5,7,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-acetamido-N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide?
2-acetamido-N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide has a molecular weight of 360.80 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide is sourced from PubChem (CID 126462947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).