N-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide

C16H10BrCl2NO2 — CID 70199045

IUPACN-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide
SMILESCc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Br
InChIInChI=1S/C16H10BrCl2NO2/c1-8-14(17)9-4-2-7-12(15(9)22-8)20-16(21)13-10(18)5-3-6-11(13)19/h2-7H,1H3,(H,20,21)
InChIKeyXGCBTVQXENLRLY-UHFFFAOYSA-N
MW399.07 g/mol
LogP6.06
Rot. Bonds2

About N-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide

N-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide (PubChem CID 70199045) has the molecular formula C16H10BrCl2NO2 and a molecular weight of 399.07 g/mol. Its IUPAC name is N-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide
PubChem CID70199045
Molecular FormulaC16H10BrCl2NO2
Molecular Weight399.07 g/mol
Exact Mass396.93
IUPAC NameN-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide
SMILESCc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Br
InChIInChI=1S/C16H10BrCl2NO2/c1-8-14(17)9-4-2-7-12(15(9)22-8)20-16(21)13-10(18)5-3-6-11(13)19/h2-7H,1H3,(H,20,21)
InChIKeyXGCBTVQXENLRLY-UHFFFAOYSA-N
XLogP6.06
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.07
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide 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

FR167356
CID 10068207
1-[7-(3-Chloroanilino)-1-benzofuran-2-yl]ethanone
CID 162644130
2,6-dichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 9862493
2,6-dichloro-N-[5-fluoro-3-(1-hydroxypropyl)-2-methyl-1-benzofuran-7-yl]benzamide
CID 67695071
N-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide
CID 70198822
2-chloro-N-(2,3-dimethyl-1-benzofuran-7-yl)-6-fluorobenzamide
CID 70199709
2,6-dichloro-N-[5-fluoro-3-(2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide
CID 70199994
2,6-dichloro-N-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-1-benzofuran-7-yl]benzamide
CID 88207376
2-[2-(Bromomethyl)-4-chloro-6-fluoro-1-benzofuran-7-yl]-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 139797826
4-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 170699585
N-(8-chlorodibenzofuran-4-yl)acetamide
CID 102450655
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 4663876

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide?
The IUPAC name of N-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide (CID 70199045) is N-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide is Cc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Br.
What is the InChIKey of N-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide?
The InChIKey is XGCBTVQXENLRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl2NO2/c1-8-14(17)9-4-2-7-12(15(9)22-8)20-16(21)13-10(18)5-3-6-11(13)19/h2-7H,1H3,(H,20,21).
What are the key properties of N-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide?
N-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide has a molecular weight of 399.07 g/mol, XLogP of 6.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide is sourced from PubChem (CID 70199045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).