N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide

C16H20FNO2 — CID 123307514

IUPACN-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
SMILESCCN(CC(C)C)C(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C16H20FNO2/c1-5-18(9-10(2)3)16(19)14-11(4)12-7-6-8-13(17)15(12)20-14/h6-8,10H,5,9H2,1-4H3
InChIKeyXPAKLFIBSKEQFL-UHFFFAOYSA-N
MW277.34 g/mol
LogP4.00
Rot. Bonds4

About N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide

N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 123307514) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
PubChem CID123307514
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC NameN-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
SMILESCCN(CC(C)C)C(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C16H20FNO2/c1-5-18(9-10(2)3)16(19)14-11(4)12-7-6-8-13(17)15(12)20-14/h6-8,10H,5,9H2,1-4H3
InChIKeyXPAKLFIBSKEQFL-UHFFFAOYSA-N
XLogP4.00
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 112548198
7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 43393388
N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115612802
2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241826
7-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 115902514
7-fluoro-N-(4-hydroxy-2-methylbutyl)-3-methyl-1-benzofuran-2-carboxamide
CID 66106213
(2S)-3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 107832842
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
[(1S)-1-cyanoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 40766477
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8567498
N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344832
N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 47439011

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide (CID 123307514) is N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide is CCN(CC(C)C)C(=O)c1oc2c(F)cccc2c1C.
What is the InChIKey of N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is XPAKLFIBSKEQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-5-18(9-10(2)3)16(19)14-11(4)12-7-6-8-13(17)15(12)20-14/h6-8,10H,5,9H2,1-4H3.
What are the key properties of N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 277.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 123307514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).