4-chloro-N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]benzamide

C19H14ClNO3 — CID 672864

IUPAC4-chloro-N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]benzamide
SMILESO=C(Nc1c(C(=O)C2CC2)oc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClNO3/c20-13-9-7-12(8-10-13)19(23)21-16-14-3-1-2-4-15(14)24-18(16)17(22)11-5-6-11/h1-4,7-11H,5-6H2,(H,21,23)
InChIKeyRKNRIBBLARKWCU-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.93
Rot. Bonds4

About 4-chloro-N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]benzamide

4-chloro-N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]benzamide (PubChem CID 672864) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is 4-chloro-N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]benzamide
PubChem CID672864
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name4-chloro-N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]benzamide
SMILESO=C(Nc1c(C(=O)C2CC2)oc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClNO3/c20-13-9-7-12(8-10-13)19(23)21-16-14-3-1-2-4-15(14)24-18(16)17(22)11-5-6-11/h1-4,7-11H,5-6H2,(H,21,23)
InChIKeyRKNRIBBLARKWCU-UHFFFAOYSA-N
XLogP4.93
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]benzamide (CID 672864) is 4-chloro-N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]benzamide is O=C(Nc1c(C(=O)C2CC2)oc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is RKNRIBBLARKWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3/c20-13-9-7-12(8-10-13)19(23)21-16-14-3-1-2-4-15(14)24-18(16)17(22)11-5-6-11/h1-4,7-11H,5-6H2,(H,21,23).
What are the key properties of 4-chloro-N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]benzamide?
4-chloro-N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 339.78 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 672864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).