2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide

C17H17Cl2FN2O2 — CID 71229487

IUPAC2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide
SMILESCCC(Oc1ncc(Cl)cc1Cl)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C17H17Cl2FN2O2/c1-3-15(24-17-14(19)8-12(18)9-21-17)16(23)22-10(2)11-4-6-13(20)7-5-11/h4-10,15H,3H2,1-2H3,(H,22,23)
InChIKeySOJPZRFCAOQWCF-UHFFFAOYSA-N
MW371.24 g/mol
LogP4.56
Rot. Bonds6

About 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide

2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide (PubChem CID 71229487) has the molecular formula C17H17Cl2FN2O2 and a molecular weight of 371.24 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide
PubChem CID71229487
Molecular FormulaC17H17Cl2FN2O2
Molecular Weight371.24 g/mol
Exact Mass370.07
IUPAC Name2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide
SMILESCCC(Oc1ncc(Cl)cc1Cl)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C17H17Cl2FN2O2/c1-3-15(24-17-14(19)8-12(18)9-21-17)16(23)22-10(2)11-4-6-13(20)7-5-11/h4-10,15H,3H2,1-2H3,(H,22,23)
InChIKeySOJPZRFCAOQWCF-UHFFFAOYSA-N
XLogP4.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012275
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012273
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 99132356
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 46770805
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 99132357
2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53289006
2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53284470
3-[(3,5-dichloro-2-pyridinyl)oxy]-1-[2-(4-fluorophenyl)ethylamino]pentan-2-one
CID 123525561
methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate
CID 165431123
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 93488009
N-[1-(1-benzothiophen-5-yl)ethyl]-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide
CID 71229485
2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43917030

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide?
The IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide (CID 71229487) is 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide?
The canonical SMILES for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide is CCC(Oc1ncc(Cl)cc1Cl)C(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide?
The InChIKey is SOJPZRFCAOQWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O2/c1-3-15(24-17-14(19)8-12(18)9-21-17)16(23)22-10(2)11-4-6-13(20)7-5-11/h4-10,15H,3H2,1-2H3,(H,22,23).
What are the key properties of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide?
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide has a molecular weight of 371.24 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 71229487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).