ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide

C22H28FNO2 — CID 145056932

IUPACethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide
SMILESCC.CC.CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(C)c(C)c12
InChIInChI=1S/C18H16FNO2.2C2H6/c1-10-4-9-14-15(11(10)2)16(18(21)20-3)17(22-14)12-5-7-13(19)8-6-12;2*1-2/h4-9H,1-3H3,(H,20,21);2*1-2H3
InChIKeyNNHYREYWEXEKAZ-UHFFFAOYSA-N
MW357.47 g/mol
LogP6.27
Rot. Bonds2

About ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide

ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide (PubChem CID 145056932) has the molecular formula C22H28FNO2 and a molecular weight of 357.47 g/mol. Its IUPAC name is ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Nameethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide
PubChem CID145056932
Molecular FormulaC22H28FNO2
Molecular Weight357.47 g/mol
Exact Mass357.21
IUPAC Nameethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide
SMILESCC.CC.CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(C)c(C)c12
InChIInChI=1S/C18H16FNO2.2C2H6/c1-10-4-9-14-15(11(10)2)16(18(21)20-3)17(22-14)12-5-7-13(19)8-6-12;2*1-2/h4-9H,1-3H3,(H,20,21);2*1-2H3
InChIKeyNNHYREYWEXEKAZ-UHFFFAOYSA-N
XLogP6.27
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.47
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2-methylphenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 88915641
4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2,4-dimethylphenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 143956952
4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide
CID 123309644
5-acetyl-2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide
CID 70800629
6-ethoxy-2-(4-fluorophenyl)-N,5-dimethyl-1-benzofuran-3-carboxamide
CID 118682835
2-fluoro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-4-methylbenzoic acid
CID 59275131
[4-fluoro-2-(4-fluorophenyl)-6-methyl-3-(methylcarbamoyl)-1-benzofuran-5-yl] trifluoromethanesulfonate
CID 118684753
2-(4-fluorophenyl)-N,5-dimethyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89435876
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 143956964
methyl 5-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-2-methoxy-4-methylbenzoate
CID 59275657
2-(4-fluorophenyl)-5-hydroxy-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
CID 122644531
2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 59275666

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide?
The IUPAC name of ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide (CID 145056932) is ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide?
The canonical SMILES for ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide is CC.CC.CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(C)c(C)c12.
What is the InChIKey of ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide?
The InChIKey is NNHYREYWEXEKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2.2C2H6/c1-10-4-9-14-15(11(10)2)16(18(21)20-3)17(22-14)12-5-7-13(19)8-6-12;2*1-2/h4-9H,1-3H3,(H,20,21);2*1-2H3.
What are the key properties of ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide?
ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide has a molecular weight of 357.47 g/mol, XLogP of 6.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 145056932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).