1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone

C15H15FN2O — CID 83118884

IUPAC1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone
SMILESCCN(c1ccc(C(C)=O)nc1)c1cccc(F)c1
InChIInChI=1S/C15H15FN2O/c1-3-18(13-6-4-5-12(16)9-13)14-7-8-15(11(2)19)17-10-14/h4-10H,3H2,1-2H3
InChIKeyDLNVHRLKVOZFPM-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.58
Rot. Bonds4

About 1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone

1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone (PubChem CID 83118884) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone
PubChem CID83118884
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone
SMILESCCN(c1ccc(C(C)=O)nc1)c1cccc(F)c1
InChIInChI=1S/C15H15FN2O/c1-3-18(13-6-4-5-12(16)9-13)14-7-8-15(11(2)19)17-10-14/h4-10H,3H2,1-2H3
InChIKeyDLNVHRLKVOZFPM-UHFFFAOYSA-N
XLogP3.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone
CID 83118886
1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone
CID 79600398
N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109200389
2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 55112458
3-[4-(N-ethyl-3-fluoroanilino)phenyl]prop-2-enoic acid
CID 76999912
(1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol
CID 78940802
4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid
CID 113403969
N-tert-butyl-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109195162
1-[5-(dimethylamino)-2-pyridinyl]ethanone
CID 45086299
1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone
CID 83120329
5-(N-ethyl-3-methylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181194
5-(N-ethylanilino)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109198416

Frequently Asked Questions

What is the IUPAC name of 1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone (CID 83118884) is 1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone is CCN(c1ccc(C(C)=O)nc1)c1cccc(F)c1.
What is the InChIKey of 1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone?
The InChIKey is DLNVHRLKVOZFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-3-18(13-6-4-5-12(16)9-13)14-7-8-15(11(2)19)17-10-14/h4-10H,3H2,1-2H3.
What are the key properties of 1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone?
1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone has a molecular weight of 258.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone is sourced from PubChem (CID 83118884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).