N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide

C24H15Cl2F2NO3 — CID 68690163

IUPACN-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide
SMILESCc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(NC(=O)C(F)F)c3)ccc12
InChIInChI=1S/C24H15Cl2F2NO3/c1-12-17-7-5-14(13-3-2-4-16(9-13)29-24(31)23(27)28)10-20(17)32-22(12)21(30)18-8-6-15(25)11-19(18)26/h2-11,23H,1H3,(H,29,31)
InChIKeyIITKYNBLNRZVLN-UHFFFAOYSA-N
MW474.29 g/mol
LogP7.15
Rot. Bonds5

About N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide

N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide (PubChem CID 68690163) has the molecular formula C24H15Cl2F2NO3 and a molecular weight of 474.29 g/mol. Its IUPAC name is N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide
PubChem CID68690163
Molecular FormulaC24H15Cl2F2NO3
Molecular Weight474.29 g/mol
Exact Mass473.04
IUPAC NameN-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide
SMILESCc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(NC(=O)C(F)F)c3)ccc12
InChIInChI=1S/C24H15Cl2F2NO3/c1-12-17-7-5-14(13-3-2-4-16(9-13)29-24(31)23(27)28)10-20(17)32-22(12)21(30)18-8-6-15(25)11-19(18)26/h2-11,23H,1H3,(H,29,31)
InChIKeyIITKYNBLNRZVLN-UHFFFAOYSA-N
XLogP7.15
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.29
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide?
The IUPAC name of N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide (CID 68690163) is N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide is Cc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(NC(=O)C(F)F)c3)ccc12.
What is the InChIKey of N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide?
The InChIKey is IITKYNBLNRZVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2F2NO3/c1-12-17-7-5-14(13-3-2-4-16(9-13)29-24(31)23(27)28)10-20(17)32-22(12)21(30)18-8-6-15(25)11-19(18)26/h2-11,23H,1H3,(H,29,31).
What are the key properties of N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide?
N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide has a molecular weight of 474.29 g/mol, XLogP of 7.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide is sourced from PubChem (CID 68690163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).