7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

C20H19BrN2O3 — CID 38950605

IUPAC7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc3cccc(Br)c3o2)cc1
InChIInChI=1S/C20H19BrN2O3/c1-20(2,3)23-18(24)12-7-9-14(10-8-12)22-19(25)16-11-13-5-4-6-15(21)17(13)26-16/h4-11H,1-3H3,(H,22,25)(H,23,24)
InChIKeyIATUGDDQNSBDPW-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.98
Rot. Bonds3

About 7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 38950605) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is 7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID38950605
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC Name7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc3cccc(Br)c3o2)cc1
InChIInChI=1S/C20H19BrN2O3/c1-20(2,3)23-18(24)12-7-9-14(10-8-12)22-19(25)16-11-13-5-4-6-15(21)17(13)26-16/h4-11H,1-3H3,(H,22,25)(H,23,24)
InChIKeyIATUGDDQNSBDPW-UHFFFAOYSA-N
XLogP4.98
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-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-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38912077
7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38887772
7-bromo-N-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 39710609
methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]-4-methylbenzoate
CID 38908619
7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 38938788
7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46465492
N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide
CID 48980635
7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 38930369
7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 38885789
7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 38899371
N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide
CID 38253448

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (CID 38950605) is 7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is CC(C)(C)NC(=O)c1ccc(NC(=O)c2cc3cccc(Br)c3o2)cc1.
What is the InChIKey of 7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is IATUGDDQNSBDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c1-20(2,3)23-18(24)12-7-9-14(10-8-12)22-19(25)16-11-13-5-4-6-15(21)17(13)26-16/h4-11H,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 415.29 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 38950605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).