ethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide

C21H28N2O2 — CID 156861554

IUPACethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide
SMILESCC.CC.CNCc1ccc(-c2cc3cccc(C(N)=O)c3o2)cc1
InChIInChI=1S/C17H16N2O2.2C2H6/c1-19-10-11-5-7-12(8-6-11)15-9-13-3-2-4-14(17(18)20)16(13)21-15;2*1-2/h2-9,19H,10H2,1H3,(H2,18,20);2*1-2H3
InChIKeyDFBABDIWTDSUHM-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.97
Rot. Bonds4

About ethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide

ethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide (PubChem CID 156861554) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is ethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Nameethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide
PubChem CID156861554
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Nameethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide
SMILESCC.CC.CNCc1ccc(-c2cc3cccc(C(N)=O)c3o2)cc1
InChIInChI=1S/C17H16N2O2.2C2H6/c1-19-10-11-5-7-12(8-6-11)15-9-13-3-2-4-14(17(18)20)16(13)21-15;2*1-2/h2-9,19H,10H2,1H3,(H2,18,20);2*1-2H3
InChIKeyDFBABDIWTDSUHM-UHFFFAOYSA-N
XLogP4.97
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-benzofuran-7-carboxamide
CID 157010763
1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114732026
ethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 156861552
N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732508
5-fluoro-2-[6-(methylaminomethyl)-3-pyridinyl]-1-benzofuran-7-carboxamide
CID 71721935
1-[3-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731957
2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide
CID 44560752
1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide
CID 172688184
[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methanamine
CID 114731985
1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114732546
2-methyl-4-[4-(methylaminomethyl)phenoxy]benzamide
CID 106486919
methyl 2-(3-nitrophenyl)-1-benzofuran-7-carboxylate
CID 70421121

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide?
The IUPAC name of ethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide (CID 156861554) is ethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide.
What is the SMILES notation for ethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide?
The canonical SMILES for ethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide is CC.CC.CNCc1ccc(-c2cc3cccc(C(N)=O)c3o2)cc1.
What is the InChIKey of ethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide?
The InChIKey is DFBABDIWTDSUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2.2C2H6/c1-19-10-11-5-7-12(8-6-11)15-9-13-3-2-4-14(17(18)20)16(13)21-15;2*1-2/h2-9,19H,10H2,1H3,(H2,18,20);2*1-2H3.
What are the key properties of ethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide?
ethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 156861554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).