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

C24H14Cl2F3NO3 — CID 87763517

IUPACN-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2,2-trifluoroacetamide
SMILESCc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(NC(=O)C(F)(F)F)c3)ccc12
InChIInChI=1S/C24H14Cl2F3NO3/c1-12-17-7-5-14(13-3-2-4-16(9-13)30-23(32)24(27,28)29)10-20(17)33-22(12)21(31)18-8-6-15(25)11-19(18)26/h2-11H,1H3,(H,30,32)
InChIKeyKZFFHZTUCVVOID-UHFFFAOYSA-N
MW492.28 g/mol
LogP7.45
Rot. Bonds4

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

N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 87763517) has the molecular formula C24H14Cl2F3NO3 and a molecular weight of 492.28 g/mol. Its IUPAC name is N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID87763517
Molecular FormulaC24H14Cl2F3NO3
Molecular Weight492.28 g/mol
Exact Mass491.03
IUPAC NameN-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2,2-trifluoroacetamide
SMILESCc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(NC(=O)C(F)(F)F)c3)ccc12
InChIInChI=1S/C24H14Cl2F3NO3/c1-12-17-7-5-14(13-3-2-4-16(9-13)30-23(32)24(27,28)29)10-20(17)33-22(12)21(31)18-8-6-15(25)11-19(18)26/h2-11H,1H3,(H,30,32)
InChIKeyKZFFHZTUCVVOID-UHFFFAOYSA-N
XLogP7.45
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.28
LogP ≤ 57.45
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]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2,2-trifluoroacetamide (CID 87763517) is N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2,2-trifluoroacetamide is Cc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(NC(=O)C(F)(F)F)c3)ccc12.
What is the InChIKey of N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is KZFFHZTUCVVOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F3NO3/c1-12-17-7-5-14(13-3-2-4-16(9-13)30-23(32)24(27,28)29)10-20(17)33-22(12)21(31)18-8-6-15(25)11-19(18)26/h2-11H,1H3,(H,30,32).
What are the key properties of N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2,2-trifluoroacetamide?
N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 492.28 g/mol, XLogP of 7.45, 4 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]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87763517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).