7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

C19H14ClF3N2O3 — CID 46543410

IUPAC7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)oc2c(Cl)cccc12
InChIInChI=1S/C19H14ClF3N2O3/c1-10-11-6-4-7-13(20)16(11)28-15(10)18(27)25-14-8-3-2-5-12(14)17(26)24-9-19(21,22)23/h2-8H,9H2,1H3,(H,24,26)(H,25,27)
InChIKeyVAJMFJGYYOSHED-UHFFFAOYSA-N
MW410.78 g/mol
LogP4.94
Rot. Bonds4

About 7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 46543410) has the molecular formula C19H14ClF3N2O3 and a molecular weight of 410.78 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID46543410
Molecular FormulaC19H14ClF3N2O3
Molecular Weight410.78 g/mol
Exact Mass410.06
IUPAC Name7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)oc2c(Cl)cccc12
InChIInChI=1S/C19H14ClF3N2O3/c1-10-11-6-4-7-13(20)16(11)28-15(10)18(27)25-14-8-3-2-5-12(14)17(26)24-9-19(21,22)23/h2-8H,9H2,1H3,(H,24,26)(H,25,27)
InChIKeyVAJMFJGYYOSHED-UHFFFAOYSA-N
XLogP4.94
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.78
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119627028
7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674253
N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16546165
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
N-[2-(1,3-benzothiazol-2-yl)phenyl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16549789
7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 17423477
7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide
CID 8006377
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 46665379
3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 35346075

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (CID 46543410) is 7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is VAJMFJGYYOSHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O3/c1-10-11-6-4-7-13(20)16(11)28-15(10)18(27)25-14-8-3-2-5-12(14)17(26)24-9-19(21,22)23/h2-8H,9H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 410.78 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46543410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).