N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-4-fluorobenzamide

C22H13ClFNO3 — CID 4081155

IUPACN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-4-fluorobenzamide
SMILESO=C(Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C22H13ClFNO3/c23-15-9-5-13(6-10-15)20(26)21-19(17-3-1-2-4-18(17)28-21)25-22(27)14-7-11-16(24)12-8-14/h1-12H,(H,25,27)
InChIKeyFAVHLLQYJUNRLD-UHFFFAOYSA-N
MW393.80 g/mol
LogP5.71
Rot. Bonds4

About N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-4-fluorobenzamide

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-4-fluorobenzamide (PubChem CID 4081155) has the molecular formula C22H13ClFNO3 and a molecular weight of 393.80 g/mol. Its IUPAC name is N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-4-fluorobenzamide
PubChem CID4081155
Molecular FormulaC22H13ClFNO3
Molecular Weight393.80 g/mol
Exact Mass393.06
IUPAC NameN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-4-fluorobenzamide
SMILESO=C(Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C22H13ClFNO3/c23-15-9-5-13(6-10-15)20(26)21-19(17-3-1-2-4-18(17)28-21)25-22(27)14-7-11-16(24)12-8-14/h1-12H,(H,25,27)
InChIKeyFAVHLLQYJUNRLD-UHFFFAOYSA-N
XLogP5.71
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.80
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-4-fluorobenzamide (CID 4081155) is N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-4-fluorobenzamide is O=C(Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-4-fluorobenzamide?
The InChIKey is FAVHLLQYJUNRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFNO3/c23-15-9-5-13(6-10-15)20(26)21-19(17-3-1-2-4-18(17)28-21)25-22(27)14-7-11-16(24)12-8-14/h1-12H,(H,25,27).
What are the key properties of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-4-fluorobenzamide?
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-4-fluorobenzamide has a molecular weight of 393.80 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 4081155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).