N-[2-(2-fluorophenyl)ethyl]-2,4-dimethylfuran-3-carboxamide

C15H16FNO2 — CID 112529336

IUPACN-[2-(2-fluorophenyl)ethyl]-2,4-dimethylfuran-3-carboxamide
SMILESCc1coc(C)c1C(=O)NCCc1ccccc1F
InChIInChI=1S/C15H16FNO2/c1-10-9-19-11(2)14(10)15(18)17-8-7-12-5-3-4-6-13(12)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyAWMNWTKEEIGMQI-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.01
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-2,4-dimethylfuran-3-carboxamide

N-[2-(2-fluorophenyl)ethyl]-2,4-dimethylfuran-3-carboxamide (PubChem CID 112529336) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2,4-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2,4-dimethylfuran-3-carboxamide
PubChem CID112529336
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2,4-dimethylfuran-3-carboxamide
SMILESCc1coc(C)c1C(=O)NCCc1ccccc1F
InChIInChI=1S/C15H16FNO2/c1-10-9-19-11(2)14(10)15(18)17-8-7-12-5-3-4-6-13(12)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyAWMNWTKEEIGMQI-UHFFFAOYSA-N
XLogP3.01
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
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CID 70767353
N-[2-(2-fluorophenyl)ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691877
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112993331
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide
CID 103951657
3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
CID 81472463
N-[2-(2-fluorophenyl)ethyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392820
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108900009
N-[2-(2-fluorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
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4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 8636623

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2,4-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2,4-dimethylfuran-3-carboxamide (CID 112529336) is N-[2-(2-fluorophenyl)ethyl]-2,4-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2,4-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2,4-dimethylfuran-3-carboxamide is Cc1coc(C)c1C(=O)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2,4-dimethylfuran-3-carboxamide?
The InChIKey is AWMNWTKEEIGMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10-9-19-11(2)14(10)15(18)17-8-7-12-5-3-4-6-13(12)16/h3-6,9H,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2,4-dimethylfuran-3-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-2,4-dimethylfuran-3-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2,4-dimethylfuran-3-carboxamide is sourced from PubChem (CID 112529336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).