3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one

C18H19Cl2FN2O2 — CID 123525561

IUPAC3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one
SMILESCCC(Oc1ncc(Cl)cc1Cl)C(=O)CNCCc1ccc(F)cc1
InChIInChI=1S/C18H19Cl2FN2O2/c1-2-17(25-18-15(20)9-13(19)10-23-18)16(24)11-22-8-7-12-3-5-14(21)6-4-12/h3-6,9-10,17,22H,2,7-8,11H2,1H3
InChIKeyXJTGUCSOZMXSGN-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.09
Rot. Bonds9

About 3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one

3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one (PubChem CID 123525561) has the molecular formula C18H19Cl2FN2O2 and a molecular weight of 385.27 g/mol. Its IUPAC name is 3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one.

Molecular Properties

Compound Name3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one
PubChem CID123525561
Molecular FormulaC18H19Cl2FN2O2
Molecular Weight385.27 g/mol
Exact Mass384.08
IUPAC Name3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one
SMILESCCC(Oc1ncc(Cl)cc1Cl)C(=O)CNCCc1ccc(F)cc1
InChIInChI=1S/C18H19Cl2FN2O2/c1-2-17(25-18-15(20)9-13(19)10-23-18)16(24)11-22-8-7-12-3-5-14(21)6-4-12/h3-6,9-10,17,22H,2,7-8,11H2,1H3
InChIKeyXJTGUCSOZMXSGN-UHFFFAOYSA-N
XLogP4.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide
CID 90163472
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 71229487
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 71230209
3-(2,4-dichlorophenoxy)-1-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]amino]pentan-2-one
CID 141368389
(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide
CID 170433966
N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 28570858
2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101375
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 46771830
2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine
CID 176889482
2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109000448

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one?
The IUPAC name of 3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one (CID 123525561) is 3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one.
What is the SMILES notation for 3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one?
The canonical SMILES for 3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one is CCC(Oc1ncc(Cl)cc1Cl)C(=O)CNCCc1ccc(F)cc1.
What is the InChIKey of 3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one?
The InChIKey is XJTGUCSOZMXSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN2O2/c1-2-17(25-18-15(20)9-13(19)10-23-18)16(24)11-22-8-7-12-3-5-14(21)6-4-12/h3-6,9-10,17,22H,2,7-8,11H2,1H3.
What are the key properties of 3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one?
3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one has a molecular weight of 385.27 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one is sourced from PubChem (CID 123525561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).