1-[2-fluoro-6-[1-[4-(3-hydroxypropyl)anilino]ethenyl]phenyl]ethanone

C19H20FNO2 — CID 166763292

IUPAC1-[2-fluoro-6-[1-[4-(3-hydroxypropyl)anilino]ethenyl]phenyl]ethanone
SMILESC=C(Nc1ccc(CCCO)cc1)c1cccc(F)c1C(C)=O
InChIInChI=1S/C19H20FNO2/c1-13(17-6-3-7-18(20)19(17)14(2)23)21-16-10-8-15(9-11-16)5-4-12-22/h3,6-11,21-22H,1,4-5,12H2,2H3
InChIKeyXZVCUYLHNFGZOG-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.04
Rot. Bonds7

About 1-[2-fluoro-6-[1-[4-(3-hydroxypropyl)anilino]ethenyl]phenyl]ethanone

1-[2-fluoro-6-[1-[4-(3-hydroxypropyl)anilino]ethenyl]phenyl]ethanone (PubChem CID 166763292) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[2-fluoro-6-[1-[4-(3-hydroxypropyl)anilino]ethenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[1-[4-(3-hydroxypropyl)anilino]ethenyl]phenyl]ethanone
PubChem CID166763292
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name1-[2-fluoro-6-[1-[4-(3-hydroxypropyl)anilino]ethenyl]phenyl]ethanone
SMILESC=C(Nc1ccc(CCCO)cc1)c1cccc(F)c1C(C)=O
InChIInChI=1S/C19H20FNO2/c1-13(17-6-3-7-18(20)19(17)14(2)23)21-16-10-8-15(9-11-16)5-4-12-22/h3,6-11,21-22H,1,4-5,12H2,2H3
InChIKeyXZVCUYLHNFGZOG-UHFFFAOYSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-butylanilino)ethenyl]-2-prop-1-en-2-ylbenzonitrile
CID 166763124
N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide
CID 114310286
N-[(2S)-1-(4-butylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 24537925
1-(2,6-difluorophenyl)-3-methylbut-3-en-1-one
CID 79522478
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline
CID 166763210
1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone
CID 133434709
3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 81002508
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 5203738
N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide
CID 65433013
N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
CID 114310878

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[1-[4-(3-hydroxypropyl)anilino]ethenyl]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[1-[4-(3-hydroxypropyl)anilino]ethenyl]phenyl]ethanone (CID 166763292) is 1-[2-fluoro-6-[1-[4-(3-hydroxypropyl)anilino]ethenyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[1-[4-(3-hydroxypropyl)anilino]ethenyl]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[1-[4-(3-hydroxypropyl)anilino]ethenyl]phenyl]ethanone is C=C(Nc1ccc(CCCO)cc1)c1cccc(F)c1C(C)=O.
What is the InChIKey of 1-[2-fluoro-6-[1-[4-(3-hydroxypropyl)anilino]ethenyl]phenyl]ethanone?
The InChIKey is XZVCUYLHNFGZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-13(17-6-3-7-18(20)19(17)14(2)23)21-16-10-8-15(9-11-16)5-4-12-22/h3,6-11,21-22H,1,4-5,12H2,2H3.
What are the key properties of 1-[2-fluoro-6-[1-[4-(3-hydroxypropyl)anilino]ethenyl]phenyl]ethanone?
1-[2-fluoro-6-[1-[4-(3-hydroxypropyl)anilino]ethenyl]phenyl]ethanone has a molecular weight of 313.37 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[1-[4-(3-hydroxypropyl)anilino]ethenyl]phenyl]ethanone is sourced from PubChem (CID 166763292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).