7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide

C19H14BrF3N2O4 — CID 39712377

IUPAC7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C19H14BrF3N2O4/c1-25(18(27)15-9-11-3-2-4-14(20)17(11)28-15)10-16(26)24-12-5-7-13(8-6-12)29-19(21,22)23/h2-9H,10H2,1H3,(H,24,26)
InChIKeyNPRUDJJWWAHZIX-UHFFFAOYSA-N
MW471.23 g/mol
LogP4.80
Rot. Bonds5

About 7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide

7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 39712377) has the molecular formula C19H14BrF3N2O4 and a molecular weight of 471.23 g/mol. Its IUPAC name is 7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide
PubChem CID39712377
Molecular FormulaC19H14BrF3N2O4
Molecular Weight471.23 g/mol
Exact Mass470.01
IUPAC Name7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C19H14BrF3N2O4/c1-25(18(27)15-9-11-3-2-4-14(20)17(11)28-15)10-16(26)24-12-5-7-13(8-6-12)29-19(21,22)23/h2-9H,10H2,1H3,(H,24,26)
InChIKeyNPRUDJJWWAHZIX-UHFFFAOYSA-N
XLogP4.80
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.23
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-anilino-2-oxoethyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
CID 46460862
N,2,5-trimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220591
2-fluoro-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 8781656
N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]acetamide
CID 8781648
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide
CID 4845703
N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide
CID 9188659
2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220589
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 78867367
N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
CID 47033491
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366505
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220518

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide (CID 39712377) is 7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide is CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is NPRUDJJWWAHZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF3N2O4/c1-25(18(27)15-9-11-3-2-4-14(20)17(11)28-15)10-16(26)24-12-5-7-13(8-6-12)29-19(21,22)23/h2-9H,10H2,1H3,(H,24,26).
What are the key properties of 7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide?
7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 471.23 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 39712377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).