N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide

C21H16BrNO2 — CID 7929835

IUPACN-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3c(ccc4ccccc43)c2C)c(Br)c1
InChIInChI=1S/C21H16BrNO2/c1-12-7-10-18(17(22)11-12)23-21(24)19-13(2)15-9-8-14-5-3-4-6-16(14)20(15)25-19/h3-11H,1-2H3,(H,23,24)
InChIKeyRNNCHFPIJJLTGW-UHFFFAOYSA-N
MW394.27 g/mol
LogP6.22
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide

N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide (PubChem CID 7929835) has the molecular formula C21H16BrNO2 and a molecular weight of 394.27 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
PubChem CID7929835
Molecular FormulaC21H16BrNO2
Molecular Weight394.27 g/mol
Exact Mass393.04
IUPAC NameN-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3c(ccc4ccccc43)c2C)c(Br)c1
InChIInChI=1S/C21H16BrNO2/c1-12-7-10-18(17(22)11-12)23-21(24)19-13(2)15-9-8-14-5-3-4-6-16(14)20(15)25-19/h3-11H,1-2H3,(H,23,24)
InChIKeyRNNCHFPIJJLTGW-UHFFFAOYSA-N
XLogP6.22
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.27
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958
N-(2,5-dichlorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7899905
N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7733139
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 31618289
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 30831158
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7534992
(4E)-N-(2-bromo-4-methylphenyl)-3-methyl-4-(naphthalene-1-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19157879
3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
CID 7945436
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
CID 119430725
3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
CID 7926460
dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium
CID 9091198
N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344639

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide (CID 7929835) is N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide is Cc1ccc(NC(=O)c2oc3c(ccc4ccccc43)c2C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The InChIKey is RNNCHFPIJJLTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrNO2/c1-12-7-10-18(17(22)11-12)23-21(24)19-13(2)15-9-8-14-5-3-4-6-16(14)20(15)25-19/h3-11H,1-2H3,(H,23,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 394.27 g/mol, XLogP of 6.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 7929835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).