1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone

C15H16FNO2 — CID 43396772

IUPAC1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N(C)Cc1ccc(C)o1
InChIInChI=1S/C15H16FNO2/c1-10-7-8-12(19-10)9-17(3)14-6-4-5-13(16)15(14)11(2)18/h4-8H,9H2,1-3H3
InChIKeyHBTZKNYVGQNXPZ-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.57
Rot. Bonds4

About 1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone

1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone (PubChem CID 43396772) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone
PubChem CID43396772
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N(C)Cc1ccc(C)o1
InChIInChI=1S/C15H16FNO2/c1-10-7-8-12(19-10)9-17(3)14-6-4-5-13(16)15(14)11(2)18/h4-8H,9H2,1-3H3
InChIKeyHBTZKNYVGQNXPZ-UHFFFAOYSA-N
XLogP3.57
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
CID 60967598
1-[2-fluoro-6-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 60678107
2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid
CID 79522283
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone
CID 61068200
1-[2-fluoro-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanone
CID 60678097
1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone
CID 63865522
2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 31151745
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide
CID 63355837
2-(2-fluorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78784513
1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone
CID 86818346
4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
CID 36702819
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone (CID 43396772) is 1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone is CC(=O)c1c(F)cccc1N(C)Cc1ccc(C)o1.
What is the InChIKey of 1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone?
The InChIKey is HBTZKNYVGQNXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10-7-8-12(19-10)9-17(3)14-6-4-5-13(16)15(14)11(2)18/h4-8H,9H2,1-3H3.
What are the key properties of 1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone?
1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone has a molecular weight of 261.30 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanone is sourced from PubChem (CID 43396772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).