N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide

C17H11ClFNO3 — CID 950684

IUPACN-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C17H11ClFNO3/c1-9(21)20-15-13-8-11(18)4-7-14(13)23-17(15)16(22)10-2-5-12(19)6-3-10/h2-8H,1H3,(H,20,21)
InChIKeyLIYBUVXNGKPRBP-UHFFFAOYSA-N
MW331.73 g/mol
LogP4.41
Rot. Bonds3

About N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide

N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide (PubChem CID 950684) has the molecular formula C17H11ClFNO3 and a molecular weight of 331.73 g/mol. Its IUPAC name is N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
PubChem CID950684
Molecular FormulaC17H11ClFNO3
Molecular Weight331.73 g/mol
Exact Mass331.04
IUPAC NameN-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C17H11ClFNO3/c1-9(21)20-15-13-8-11(18)4-7-14(13)23-17(15)16(22)10-2-5-12(19)6-3-10/h2-8H,1H3,(H,20,21)
InChIKeyLIYBUVXNGKPRBP-UHFFFAOYSA-N
XLogP4.41
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide (CID 950684) is N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide is CC(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccc(Cl)cc12.
What is the InChIKey of N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is LIYBUVXNGKPRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO3/c1-9(21)20-15-13-8-11(18)4-7-14(13)23-17(15)16(22)10-2-5-12(19)6-3-10/h2-8H,1H3,(H,20,21).
What are the key properties of N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide?
N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 331.73 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 950684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).