acetylene;ethane;2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide;piperidine

C26H33FN2O2 — CID 144766397

IUPACacetylene;ethane;2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide;piperidine
SMILESC#C.C1CCNCC1.CC.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(C)ccc12
InChIInChI=1S/C17H14FNO2.C5H11N.C2H6.C2H2/c1-10-3-8-13-14(9-10)21-16(15(13)17(20)19-2)11-4-6-12(18)7-5-11;1-2-4-6-5-3-1;2*1-2/h3-9H,1-2H3,(H,19,20);6H,1-5H2;1-2H3;1-2H
InChIKeyMHMBFAYMFIUCFS-UHFFFAOYSA-N
MW424.56 g/mol
LogP5.94
Rot. Bonds2

About acetylene;ethane;2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide;piperidine

acetylene;ethane;2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide;piperidine (PubChem CID 144766397) has the molecular formula C26H33FN2O2 and a molecular weight of 424.56 g/mol. Its IUPAC name is acetylene;ethane;2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide;piperidine.

Molecular Properties

Compound Nameacetylene;ethane;2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide;piperidine
PubChem CID144766397
Molecular FormulaC26H33FN2O2
Molecular Weight424.56 g/mol
Exact Mass424.25
IUPAC Nameacetylene;ethane;2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide;piperidine
SMILESC#C.C1CCNCC1.CC.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(C)ccc12
InChIInChI=1S/C17H14FNO2.C5H11N.C2H6.C2H2/c1-10-3-8-13-14(9-10)21-16(15(13)17(20)19-2)11-4-6-12(18)7-5-11;1-2-4-6-5-3-1;2*1-2/h3-9H,1-2H3,(H,19,20);6H,1-5H2;1-2H3;1-2H
InChIKeyMHMBFAYMFIUCFS-UHFFFAOYSA-N
XLogP5.94
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.56
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-acetyl-2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide
CID 70800629
ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide
CID 145056932
N,5-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 10333083
2-(4-fluorophenyl)-N,5-dimethyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxamide
CID 121481081
2-(4-fluorophenyl)-N,5-dimethyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89435876
[2-(4-fluorophenyl)-6-(methylamino)-3-(methylcarbamoyl)-1-benzofuran-5-yl]boronic acid
CID 144679662
6-ethoxy-2-(4-fluorophenyl)-N,5-dimethyl-1-benzofuran-3-carboxamide
CID 118682835
2-(4-fluorophenyl)-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide
CID 59275475
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide
CID 10474183
acetylene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfanyl)amino]-1-benzofuran-3-carboxamide;(1-methylindol-3-yl)-piperidin-1-ylmethanone
CID 144763827
2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 59275666
2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275235

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide;piperidine?
The IUPAC name of acetylene;ethane;2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide;piperidine (CID 144766397) is acetylene;ethane;2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide;piperidine.
What is the SMILES notation for acetylene;ethane;2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide;piperidine?
The canonical SMILES for acetylene;ethane;2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide;piperidine is C#C.C1CCNCC1.CC.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(C)ccc12.
What is the InChIKey of acetylene;ethane;2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide;piperidine?
The InChIKey is MHMBFAYMFIUCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2.C5H11N.C2H6.C2H2/c1-10-3-8-13-14(9-10)21-16(15(13)17(20)19-2)11-4-6-12(18)7-5-11;1-2-4-6-5-3-1;2*1-2/h3-9H,1-2H3,(H,19,20);6H,1-5H2;1-2H3;1-2H.
What are the key properties of acetylene;ethane;2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide;piperidine?
acetylene;ethane;2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide;piperidine has a molecular weight of 424.56 g/mol, XLogP of 5.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide;piperidine is sourced from PubChem (CID 144766397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).