N-[2-(2-chloro-4-fluorobenzoyl)-6-phenyl-1-benzofuran-3-yl]benzamide

C28H17ClFNO3 — CID 59327391

IUPACN-[2-(2-chloro-4-fluorobenzoyl)-6-phenyl-1-benzofuran-3-yl]benzamide
SMILESO=C(Nc1c(C(=O)c2ccc(F)cc2Cl)oc2cc(-c3ccccc3)ccc12)c1ccccc1
InChIInChI=1S/C28H17ClFNO3/c29-23-16-20(30)12-14-21(23)26(32)27-25(31-28(33)18-9-5-2-6-10-18)22-13-11-19(15-24(22)34-27)17-7-3-1-4-8-17/h1-16H,(H,31,33)
InChIKeyNRLNPLJYRQPTOI-UHFFFAOYSA-N
MW469.90 g/mol
LogP7.38
Rot. Bonds5

About N-[2-(2-chloro-4-fluorobenzoyl)-6-phenyl-1-benzofuran-3-yl]benzamide

N-[2-(2-chloro-4-fluorobenzoyl)-6-phenyl-1-benzofuran-3-yl]benzamide (PubChem CID 59327391) has the molecular formula C28H17ClFNO3 and a molecular weight of 469.90 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorobenzoyl)-6-phenyl-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorobenzoyl)-6-phenyl-1-benzofuran-3-yl]benzamide
PubChem CID59327391
Molecular FormulaC28H17ClFNO3
Molecular Weight469.90 g/mol
Exact Mass469.09
IUPAC NameN-[2-(2-chloro-4-fluorobenzoyl)-6-phenyl-1-benzofuran-3-yl]benzamide
SMILESO=C(Nc1c(C(=O)c2ccc(F)cc2Cl)oc2cc(-c3ccccc3)ccc12)c1ccccc1
InChIInChI=1S/C28H17ClFNO3/c29-23-16-20(30)12-14-21(23)26(32)27-25(31-28(33)18-9-5-2-6-10-18)22-13-11-19(15-24(22)34-27)17-7-3-1-4-8-17/h1-16H,(H,31,33)
InChIKeyNRLNPLJYRQPTOI-UHFFFAOYSA-N
XLogP7.38
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.90
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorobenzoyl)-6-phenyl-1-benzofuran-3-yl]benzamide?
The IUPAC name of N-[2-(2-chloro-4-fluorobenzoyl)-6-phenyl-1-benzofuran-3-yl]benzamide (CID 59327391) is N-[2-(2-chloro-4-fluorobenzoyl)-6-phenyl-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorobenzoyl)-6-phenyl-1-benzofuran-3-yl]benzamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorobenzoyl)-6-phenyl-1-benzofuran-3-yl]benzamide is O=C(Nc1c(C(=O)c2ccc(F)cc2Cl)oc2cc(-c3ccccc3)ccc12)c1ccccc1.
What is the InChIKey of N-[2-(2-chloro-4-fluorobenzoyl)-6-phenyl-1-benzofuran-3-yl]benzamide?
The InChIKey is NRLNPLJYRQPTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17ClFNO3/c29-23-16-20(30)12-14-21(23)26(32)27-25(31-28(33)18-9-5-2-6-10-18)22-13-11-19(15-24(22)34-27)17-7-3-1-4-8-17/h1-16H,(H,31,33).
What are the key properties of N-[2-(2-chloro-4-fluorobenzoyl)-6-phenyl-1-benzofuran-3-yl]benzamide?
N-[2-(2-chloro-4-fluorobenzoyl)-6-phenyl-1-benzofuran-3-yl]benzamide has a molecular weight of 469.90 g/mol, XLogP of 7.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorobenzoyl)-6-phenyl-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 59327391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).