1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone

C17H18FNO — CID 63532043

IUPAC1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)c2cc(C)cc(C)c2)c(F)c1
InChIInChI=1S/C17H18FNO/c1-11-7-12(2)9-15(8-11)19(4)17-6-5-14(13(3)20)10-16(17)18/h5-10H,1-4H3
InChIKeyWCDQVVBETLEEDL-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.41
Rot. Bonds3

About 1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone

1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone (PubChem CID 63532043) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone
PubChem CID63532043
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)c2cc(C)cc(C)c2)c(F)c1
InChIInChI=1S/C17H18FNO/c1-11-7-12(2)9-15(8-11)19(4)17-6-5-14(13(3)20)10-16(17)18/h5-10H,1-4H3
InChIKeyWCDQVVBETLEEDL-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone (CID 63532043) is 1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone is CC(=O)c1ccc(N(C)c2cc(C)cc(C)c2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone?
The InChIKey is WCDQVVBETLEEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11-7-12(2)9-15(8-11)19(4)17-6-5-14(13(3)20)10-16(17)18/h5-10H,1-4H3.
What are the key properties of 1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone?
1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone has a molecular weight of 271.34 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone is sourced from PubChem (CID 63532043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).