N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide

C19H13F6NO2 — CID 7926545

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)coc2c1
InChIInChI=1S/C19H13F6NO2/c1-10-2-3-15-11(9-28-16(15)4-10)5-17(27)26-14-7-12(18(20,21)22)6-13(8-14)19(23,24)25/h2-4,6-9H,5H2,1H3,(H,26,27)
InChIKeyMAKMNFIOYNPRMK-UHFFFAOYSA-N
MW401.31 g/mol
LogP5.96
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 7926545) has the molecular formula C19H13F6NO2 and a molecular weight of 401.31 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID7926545
Molecular FormulaC19H13F6NO2
Molecular Weight401.31 g/mol
Exact Mass401.09
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)coc2c1
InChIInChI=1S/C19H13F6NO2/c1-10-2-3-15-11(9-28-16(15)4-10)5-17(27)26-14-7-12(18(20,21)22)6-13(8-14)19(23,24)25/h2-4,6-9H,5H2,1H3,(H,26,27)
InChIKeyMAKMNFIOYNPRMK-UHFFFAOYSA-N
XLogP5.96
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.31
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 7926545) is N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)coc2c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is MAKMNFIOYNPRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6NO2/c1-10-2-3-15-11(9-28-16(15)4-10)5-17(27)26-14-7-12(18(20,21)22)6-13(8-14)19(23,24)25/h2-4,6-9H,5H2,1H3,(H,26,27).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 401.31 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 7926545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).