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

C24H14Cl2F3NO3 — CID 59788917

IUPACN-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3c(C(F)(F)F)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1
InChIInChI=1S/C24H14Cl2F3NO3/c1-12(31)30-16-4-2-3-13(9-16)14-5-7-18-20(10-14)33-23(21(18)24(27,28)29)22(32)17-8-6-15(25)11-19(17)26/h2-11H,1H3,(H,30,31)
InChIKeyJJUYIMVPKQEOOV-UHFFFAOYSA-N
MW492.28 g/mol
LogP7.61
Rot. Bonds4

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

N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]acetamide (PubChem CID 59788917) 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-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]acetamide
PubChem CID59788917
Molecular FormulaC24H14Cl2F3NO3
Molecular Weight492.28 g/mol
Exact Mass491.03
IUPAC NameN-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3c(C(F)(F)F)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1
InChIInChI=1S/C24H14Cl2F3NO3/c1-12(31)30-16-4-2-3-13(9-16)14-5-7-18-20(10-14)33-23(21(18)24(27,28)29)22(32)17-8-6-15(25)11-19(17)26/h2-11H,1H3,(H,30,31)
InChIKeyJJUYIMVPKQEOOV-UHFFFAOYSA-N
XLogP7.61
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 ≤ 57.61
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-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]acetamide (CID 59788917) is N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc3c(C(F)(F)F)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1.
What is the InChIKey of N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]acetamide?
The InChIKey is JJUYIMVPKQEOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F3NO3/c1-12(31)30-16-4-2-3-13(9-16)14-5-7-18-20(10-14)33-23(21(18)24(27,28)29)22(32)17-8-6-15(25)11-19(17)26/h2-11H,1H3,(H,30,31).
What are the key properties of N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]acetamide?
N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]acetamide has a molecular weight of 492.28 g/mol, XLogP of 7.61, 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-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]acetamide is sourced from PubChem (CID 59788917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).