2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide

C26H19Cl2F3N2O3 — CID 139721691

IUPAC2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide
SMILESCc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C26H19Cl2F3N2O3/c1-14-17(12-22(34)32-13-15-6-2-3-8-18(15)26(29,30)31)16-7-4-11-21(24(16)36-14)33-25(35)23-19(27)9-5-10-20(23)28/h2-11H,12-13H2,1H3,(H,32,34)(H,33,35)
InChIKeyYBABCZBDCGTZAS-UHFFFAOYSA-N
MW535.35 g/mol
LogP7.18
Rot. Bonds6

About 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide

2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide (PubChem CID 139721691) has the molecular formula C26H19Cl2F3N2O3 and a molecular weight of 535.35 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide
PubChem CID139721691
Molecular FormulaC26H19Cl2F3N2O3
Molecular Weight535.35 g/mol
Exact Mass534.07
IUPAC Name2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide
SMILESCc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C26H19Cl2F3N2O3/c1-14-17(12-22(34)32-13-15-6-2-3-8-18(15)26(29,30)31)16-7-4-11-21(24(16)36-14)33-25(35)23-19(27)9-5-10-20(23)28/h2-11H,12-13H2,1H3,(H,32,34)(H,33,35)
InChIKeyYBABCZBDCGTZAS-UHFFFAOYSA-N
XLogP7.18
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.35
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide
CID 139721678
[7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate
CID 70198733
2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide
CID 139721707
1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 51046194
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide
CID 70201545
2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70200090
N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000500
2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70201589
2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601063
N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945471
1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 2747069

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide (CID 139721691) is 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide is Cc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CC(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide?
The InChIKey is YBABCZBDCGTZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2F3N2O3/c1-14-17(12-22(34)32-13-15-6-2-3-8-18(15)26(29,30)31)16-7-4-11-21(24(16)36-14)33-25(35)23-19(27)9-5-10-20(23)28/h2-11H,12-13H2,1H3,(H,32,34)(H,33,35).
What are the key properties of 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide?
2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide has a molecular weight of 535.35 g/mol, XLogP of 7.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide is sourced from PubChem (CID 139721691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).