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

C20H14FNO2 — CID 7733139

IUPACN-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)oc2c1ccc1ccccc12
InChIInChI=1S/C20H14FNO2/c1-12-16-11-6-13-4-2-3-5-17(13)19(16)24-18(12)20(23)22-15-9-7-14(21)8-10-15/h2-11H,1H3,(H,22,23)
InChIKeyZGMMALLJIUPCLG-UHFFFAOYSA-N
MW319.34 g/mol
LogP5.29
Rot. Bonds2

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

N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide (PubChem CID 7733139) has the molecular formula C20H14FNO2 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
PubChem CID7733139
Molecular FormulaC20H14FNO2
Molecular Weight319.34 g/mol
Exact Mass319.10
IUPAC NameN-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)oc2c1ccc1ccccc12
InChIInChI=1S/C20H14FNO2/c1-12-16-11-6-13-4-2-3-5-17(13)19(16)24-18(12)20(23)22-15-9-7-14(21)8-10-15/h2-11H,1H3,(H,22,23)
InChIKeyZGMMALLJIUPCLG-UHFFFAOYSA-N
XLogP5.29
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.34
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzo[g][1]benzofuran-2-carboxamide
CID 166195270
3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide
CID 112797995
1-[(4-fluorophenyl)methyl]-3-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]thiourea
CID 8942283
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 30831158
3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide
CID 30550761
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
3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide
CID 167953016
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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide (CID 7733139) is N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1ccc1ccccc12.
What is the InChIKey of N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The InChIKey is ZGMMALLJIUPCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO2/c1-12-16-11-6-13-4-2-3-5-17(13)19(16)24-18(12)20(23)22-15-9-7-14(21)8-10-15/h2-11H,1H3,(H,22,23).
What are the key properties of N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 7733139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).