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

C25H19ClFNO4 — CID 4550795

IUPACN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C25H19ClFNO4/c1-2-20(31-18-13-11-17(27)12-14-18)25(30)28-22-19-5-3-4-6-21(19)32-24(22)23(29)15-7-9-16(26)10-8-15/h3-14,20H,2H2,1H3,(H,28,30)
InChIKeyMNCUDAUZXRKYEA-UHFFFAOYSA-N
MW451.88 g/mol
LogP6.25
Rot. Bonds7

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

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide (PubChem CID 4550795) has the molecular formula C25H19ClFNO4 and a molecular weight of 451.88 g/mol. Its IUPAC name is N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide
PubChem CID4550795
Molecular FormulaC25H19ClFNO4
Molecular Weight451.88 g/mol
Exact Mass451.10
IUPAC NameN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C25H19ClFNO4/c1-2-20(31-18-13-11-17(27)12-14-18)25(30)28-22-19-5-3-4-6-21(19)32-24(22)23(29)15-7-9-16(26)10-8-15/h3-14,20H,2H2,1H3,(H,28,30)
InChIKeyMNCUDAUZXRKYEA-UHFFFAOYSA-N
XLogP6.25
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.88
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide?
The IUPAC name of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide (CID 4550795) is N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide is CCC(Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide?
The InChIKey is MNCUDAUZXRKYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFNO4/c1-2-20(31-18-13-11-17(27)12-14-18)25(30)28-22-19-5-3-4-6-21(19)32-24(22)23(29)15-7-9-16(26)10-8-15/h3-14,20H,2H2,1H3,(H,28,30).
What are the key properties of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide?
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide has a molecular weight of 451.88 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 4550795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).