5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide

C17H11BrF3NO3 — CID 2469337

IUPAC5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccc(Br)cc12
InChIInChI=1S/C17H11BrF3NO3/c1-9-13-8-10(18)2-7-14(13)24-15(9)16(23)22-11-3-5-12(6-4-11)25-17(19,20)21/h2-8H,1H3,(H,22,23)
InChIKeyKAOQGAPFWQQVEV-UHFFFAOYSA-N
MW414.18 g/mol
LogP5.65
Rot. Bonds3

About 5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide

5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 2469337) has the molecular formula C17H11BrF3NO3 and a molecular weight of 414.18 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
PubChem CID2469337
Molecular FormulaC17H11BrF3NO3
Molecular Weight414.18 g/mol
Exact Mass412.99
IUPAC Name5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccc(Br)cc12
InChIInChI=1S/C17H11BrF3NO3/c1-9-13-8-10(18)2-7-14(13)24-15(9)16(23)22-11-3-5-12(6-4-11)25-17(19,20)21/h2-8H,1H3,(H,22,23)
InChIKeyKAOQGAPFWQQVEV-UHFFFAOYSA-N
XLogP5.65
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.18
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784
3-[(3-bromobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 16817560
5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 2107465
N-(1,3-benzodioxol-5-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2470869
5-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 35181529
5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 26921628
N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
methyl 4-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylbenzoate
CID 36930678
5-bromo-N-(3-ethynylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 36663983
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7930823

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide (CID 2469337) is 5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is KAOQGAPFWQQVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF3NO3/c1-9-13-8-10(18)2-7-14(13)24-15(9)16(23)22-11-3-5-12(6-4-11)25-17(19,20)21/h2-8H,1H3,(H,22,23).
What are the key properties of 5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 414.18 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2469337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).