2-(7-chloro-1-benzofuran-5-carbonyl)-N-hydroxycyclopropane-1-carboxamide

C13H10ClNO4 — CID 123377348

IUPAC2-(7-chloro-1-benzofuran-5-carbonyl)-N-hydroxycyclopropane-1-carboxamide
SMILESO=C(NO)C1CC1C(=O)c1cc(Cl)c2occc2c1
InChIInChI=1S/C13H10ClNO4/c14-10-4-7(3-6-1-2-19-12(6)10)11(16)8-5-9(8)13(17)15-18/h1-4,8-9,18H,5H2,(H,15,17)
InChIKeyMVPKCPLFBWXZAB-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.41
Rot. Bonds3

About 2-(7-chloro-1-benzofuran-5-carbonyl)-N-hydroxycyclopropane-1-carboxamide

2-(7-chloro-1-benzofuran-5-carbonyl)-N-hydroxycyclopropane-1-carboxamide (PubChem CID 123377348) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is 2-(7-chloro-1-benzofuran-5-carbonyl)-N-hydroxycyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(7-chloro-1-benzofuran-5-carbonyl)-N-hydroxycyclopropane-1-carboxamide
PubChem CID123377348
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Name2-(7-chloro-1-benzofuran-5-carbonyl)-N-hydroxycyclopropane-1-carboxamide
SMILESO=C(NO)C1CC1C(=O)c1cc(Cl)c2occc2c1
InChIInChI=1S/C13H10ClNO4/c14-10-4-7(3-6-1-2-19-12(6)10)11(16)8-5-9(8)13(17)15-18/h1-4,8-9,18H,5H2,(H,15,17)
InChIKeyMVPKCPLFBWXZAB-UHFFFAOYSA-N
XLogP2.41
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-(7-chloro-1-benzofuran-5-carbonyl)-N-hydroxycyclopropane-1-carboxamide?
The IUPAC name of 2-(7-chloro-1-benzofuran-5-carbonyl)-N-hydroxycyclopropane-1-carboxamide (CID 123377348) is 2-(7-chloro-1-benzofuran-5-carbonyl)-N-hydroxycyclopropane-1-carboxamide.
What is the SMILES notation for 2-(7-chloro-1-benzofuran-5-carbonyl)-N-hydroxycyclopropane-1-carboxamide?
The canonical SMILES for 2-(7-chloro-1-benzofuran-5-carbonyl)-N-hydroxycyclopropane-1-carboxamide is O=C(NO)C1CC1C(=O)c1cc(Cl)c2occc2c1.
What is the InChIKey of 2-(7-chloro-1-benzofuran-5-carbonyl)-N-hydroxycyclopropane-1-carboxamide?
The InChIKey is MVPKCPLFBWXZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c14-10-4-7(3-6-1-2-19-12(6)10)11(16)8-5-9(8)13(17)15-18/h1-4,8-9,18H,5H2,(H,15,17).
What are the key properties of 2-(7-chloro-1-benzofuran-5-carbonyl)-N-hydroxycyclopropane-1-carboxamide?
2-(7-chloro-1-benzofuran-5-carbonyl)-N-hydroxycyclopropane-1-carboxamide has a molecular weight of 279.68 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-benzofuran-5-carbonyl)-N-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 123377348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).