2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide

C25H19ClFNO4 — CID 4092515

IUPAC2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide
SMILESCc1cc(OC(C)C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)ccc1Cl
InChIInChI=1S/C25H19ClFNO4/c1-14-13-18(11-12-20(14)26)31-15(2)25(30)28-22-19-5-3-4-6-21(19)32-24(22)23(29)16-7-9-17(27)10-8-16/h3-13,15H,1-2H3,(H,28,30)
InChIKeyFNBWWNDKEHAEFT-UHFFFAOYSA-N
MW451.88 g/mol
LogP6.17
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide

2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide (PubChem CID 4092515) has the molecular formula C25H19ClFNO4 and a molecular weight of 451.88 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide
PubChem CID4092515
Molecular FormulaC25H19ClFNO4
Molecular Weight451.88 g/mol
Exact Mass451.10
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide
SMILESCc1cc(OC(C)C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)ccc1Cl
InChIInChI=1S/C25H19ClFNO4/c1-14-13-18(11-12-20(14)26)31-15(2)25(30)28-22-19-5-3-4-6-21(19)32-24(22)23(29)16-7-9-17(27)10-8-16/h3-13,15H,1-2H3,(H,28,30)
InChIKeyFNBWWNDKEHAEFT-UHFFFAOYSA-N
XLogP6.17
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.88
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide (CID 4092515) is 2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide is Cc1cc(OC(C)C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide?
The InChIKey is FNBWWNDKEHAEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFNO4/c1-14-13-18(11-12-20(14)26)31-15(2)25(30)28-22-19-5-3-4-6-21(19)32-24(22)23(29)16-7-9-17(27)10-8-16/h3-13,15H,1-2H3,(H,28,30).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide?
2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide has a molecular weight of 451.88 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide is sourced from PubChem (CID 4092515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).