3-acetamido-5-chloro-1-benzofuran-2-carboxamide

C11H9ClN2O3 — CID 739882

IUPAC3-acetamido-5-chloro-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1c(C(N)=O)oc2ccc(Cl)cc12
InChIInChI=1S/C11H9ClN2O3/c1-5(15)14-9-7-4-6(12)2-3-8(7)17-10(9)11(13)16/h2-4H,1H3,(H2,13,16)(H,14,15)
InChIKeyCQHCUXZHQLYMIS-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.14
Rot. Bonds2

About 3-acetamido-5-chloro-1-benzofuran-2-carboxamide

3-acetamido-5-chloro-1-benzofuran-2-carboxamide (PubChem CID 739882) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 3-acetamido-5-chloro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-acetamido-5-chloro-1-benzofuran-2-carboxamide
PubChem CID739882
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name3-acetamido-5-chloro-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1c(C(N)=O)oc2ccc(Cl)cc12
InChIInChI=1S/C11H9ClN2O3/c1-5(15)14-9-7-4-6(12)2-3-8(7)17-10(9)11(13)16/h2-4H,1H3,(H2,13,16)(H,14,15)
InChIKeyCQHCUXZHQLYMIS-UHFFFAOYSA-N
XLogP2.14
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5-chloro-1-benzofuran-2-carboxamide?
The IUPAC name of 3-acetamido-5-chloro-1-benzofuran-2-carboxamide (CID 739882) is 3-acetamido-5-chloro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-acetamido-5-chloro-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-acetamido-5-chloro-1-benzofuran-2-carboxamide is CC(=O)Nc1c(C(N)=O)oc2ccc(Cl)cc12.
What is the InChIKey of 3-acetamido-5-chloro-1-benzofuran-2-carboxamide?
The InChIKey is CQHCUXZHQLYMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-5(15)14-9-7-4-6(12)2-3-8(7)17-10(9)11(13)16/h2-4H,1H3,(H2,13,16)(H,14,15).
What are the key properties of 3-acetamido-5-chloro-1-benzofuran-2-carboxamide?
3-acetamido-5-chloro-1-benzofuran-2-carboxamide has a molecular weight of 252.66 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-5-chloro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 739882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).