2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide

C17H18Cl2N2O3 — CID 89392118

IUPAC2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCCC(Oc1cnc(Cl)cc1Cl)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C17H18Cl2N2O3/c1-3-14(24-15-10-20-16(19)8-13(15)18)17(22)21-9-11-4-6-12(23-2)7-5-11/h4-8,10,14H,3,9H2,1-2H3,(H,21,22)
InChIKeyRZHSEYBTVFCYPP-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.87
Rot. Bonds7

About 2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide

2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide (PubChem CID 89392118) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is 2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide
PubChem CID89392118
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCCC(Oc1cnc(Cl)cc1Cl)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C17H18Cl2N2O3/c1-3-14(24-15-10-20-16(19)8-13(15)18)17(22)21-9-11-4-6-12(23-2)7-5-11/h4-8,10,14H,3,9H2,1-2H3,(H,21,22)
InChIKeyRZHSEYBTVFCYPP-UHFFFAOYSA-N
XLogP3.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53289156
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53286217
N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 43915994
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 71230209
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 99133193
2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53289034
(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 29419335

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide?
The IUPAC name of 2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide (CID 89392118) is 2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide is CCC(Oc1cnc(Cl)cc1Cl)C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide?
The InChIKey is RZHSEYBTVFCYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-3-14(24-15-10-20-16(19)8-13(15)18)17(22)21-9-11-4-6-12(23-2)7-5-11/h4-8,10,14H,3,9H2,1-2H3,(H,21,22).
What are the key properties of 2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide?
2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide has a molecular weight of 369.25 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 89392118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).