N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide

C22H19NO2 — CID 7946958

IUPACN-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2oc3c(ccc4ccccc43)c2C)c1C
InChIInChI=1S/C22H19NO2/c1-13-7-6-10-19(14(13)2)23-22(24)20-15(3)17-12-11-16-8-4-5-9-18(16)21(17)25-20/h4-12H,1-3H3,(H,23,24)
InChIKeyXXWNFDFQLGQTHQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.76
Rot. Bonds2

About N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide

N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide (PubChem CID 7946958) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
PubChem CID7946958
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC NameN-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2oc3c(ccc4ccccc43)c2C)c1C
InChIInChI=1S/C22H19NO2/c1-13-7-6-10-19(14(13)2)23-22(24)20-15(3)17-12-11-16-8-4-5-9-18(16)21(17)25-20/h4-12H,1-3H3,(H,23,24)
InChIKeyXXWNFDFQLGQTHQ-UHFFFAOYSA-N
XLogP5.76
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7899905
N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7929835
N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7733139
3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide
CID 30550761
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
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
N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7920539
7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 46665379

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide (CID 7946958) is N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide is Cc1cccc(NC(=O)c2oc3c(ccc4ccccc43)c2C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The InChIKey is XXWNFDFQLGQTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-13-7-6-10-19(14(13)2)23-22(24)20-15(3)17-12-11-16-8-4-5-9-18(16)21(17)25-20/h4-12H,1-3H3,(H,23,24).
What are the key properties of N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 7946958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).