1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone

C16H16FNO2 — CID 79600398

IUPAC1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone
SMILESCCN(c1cccc(F)c1)c1ccc(C(C)=O)c(O)c1
InChIInChI=1S/C16H16FNO2/c1-3-18(13-6-4-5-12(17)9-13)14-7-8-15(11(2)19)16(20)10-14/h4-10,20H,3H2,1-2H3
InChIKeyPJCYZPRDORYBMC-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.89
Rot. Bonds4

About 1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone

1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone (PubChem CID 79600398) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone
PubChem CID79600398
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone
SMILESCCN(c1cccc(F)c1)c1ccc(C(C)=O)c(O)c1
InChIInChI=1S/C16H16FNO2/c1-3-18(13-6-4-5-12(17)9-13)14-7-8-15(11(2)19)16(20)10-14/h4-10,20H,3H2,1-2H3
InChIKeyPJCYZPRDORYBMC-UHFFFAOYSA-N
XLogP3.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone
CID 83118884
4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid
CID 113403969
2-chloro-4-(N-ethyl-3-fluoroanilino)benzenecarbothioamide
CID 62947464
3-[4-(N-ethyl-3-fluoroanilino)phenyl]prop-2-enoic acid
CID 76999912
(1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol
CID 78940802
2-(N-ethyl-3-fluoroanilino)-3-fluorobenzoic acid
CID 62649705
1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone
CID 79600219
N-ethyl-N-(3-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956480
1-[4-[ethyl(1-methoxypropan-2-yl)amino]-2-hydroxyphenyl]ethanone
CID 79600850
2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 55112458
4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile
CID 115367385
N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide
CID 146316508

Frequently Asked Questions

What is the IUPAC name of 1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone (CID 79600398) is 1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone is CCN(c1cccc(F)c1)c1ccc(C(C)=O)c(O)c1.
What is the InChIKey of 1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone?
The InChIKey is PJCYZPRDORYBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-3-18(13-6-4-5-12(17)9-13)14-7-8-15(11(2)19)16(20)10-14/h4-10,20H,3H2,1-2H3.
What are the key properties of 1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone?
1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone has a molecular weight of 273.31 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 79600398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).