N-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide

C12H10ClNO3 — CID 12783860

IUPACN-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1Cl)C(=O)C1(CC1)O2
InChIInChI=1S/C12H10ClNO3/c1-6(15)14-9-5-10-7(4-8(9)13)11(16)12(17-10)2-3-12/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyWBKZMAGWZHZSOJ-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.41
Rot. Bonds1

About N-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide

N-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide (PubChem CID 12783860) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is N-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide
PubChem CID12783860
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC NameN-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1Cl)C(=O)C1(CC1)O2
InChIInChI=1S/C12H10ClNO3/c1-6(15)14-9-5-10-7(4-8(9)13)11(16)12(17-10)2-3-12/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyWBKZMAGWZHZSOJ-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide?
The IUPAC name of N-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide (CID 12783860) is N-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide.
What is the SMILES notation for N-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide?
The canonical SMILES for N-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide is CC(=O)Nc1cc2c(cc1Cl)C(=O)C1(CC1)O2.
What is the InChIKey of N-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide?
The InChIKey is WBKZMAGWZHZSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-6(15)14-9-5-10-7(4-8(9)13)11(16)12(17-10)2-3-12/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of N-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide?
N-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide has a molecular weight of 251.67 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-oxospiro[1-benzofuran-2,1'-cyclopropane]-6-yl)acetamide is sourced from PubChem (CID 12783860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).