2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide

C17H13ClN2O3 — CID 135746798

IUPAC2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide
SMILESO=C(CCl)Nc1c(/C(=N/O)c2ccccc2)oc2ccccc12
InChIInChI=1S/C17H13ClN2O3/c18-10-14(21)19-16-12-8-4-5-9-13(12)23-17(16)15(20-22)11-6-2-1-3-7-11/h1-9,22H,10H2,(H,19,21)/b20-15+
InChIKeyHJBAXGHATFSURP-HMMYKYKNSA-N
MW328.76 g/mol
LogP3.84
Rot. Bonds4

About 2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide

2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide (PubChem CID 135746798) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide
PubChem CID135746798
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide
SMILESO=C(CCl)Nc1c(/C(=N/O)c2ccccc2)oc2ccccc12
InChIInChI=1S/C17H13ClN2O3/c18-10-14(21)19-16-12-8-4-5-9-13(12)23-17(16)15(20-22)11-6-2-1-3-7-11/h1-9,22H,10H2,(H,19,21)/b20-15+
InChIKeyHJBAXGHATFSURP-HMMYKYKNSA-N
XLogP3.84
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide (CID 135746798) is 2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide is O=C(CCl)Nc1c(/C(=N/O)c2ccccc2)oc2ccccc12.
What is the InChIKey of 2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide?
The InChIKey is HJBAXGHATFSURP-HMMYKYKNSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c18-10-14(21)19-16-12-8-4-5-9-13(12)23-17(16)15(20-22)11-6-2-1-3-7-11/h1-9,22H,10H2,(H,19,21)/b20-15+.
What are the key properties of 2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide?
2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide has a molecular weight of 328.76 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 135746798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).