2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide

C18H20Cl2N2O4 — CID 71230209

IUPAC2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide
SMILESCCC(Oc1ncc(Cl)cc1Cl)C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20Cl2N2O4/c1-4-14(26-18-13(20)8-12(19)10-22-18)17(23)21-9-11-5-6-15(24-2)16(7-11)25-3/h5-8,10,14H,4,9H2,1-3H3,(H,21,23)
InChIKeyPPCLXFHXIPFXRR-UHFFFAOYSA-N
MW399.27 g/mol
LogP3.88
Rot. Bonds8

About 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide

2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide (PubChem CID 71230209) has the molecular formula C18H20Cl2N2O4 and a molecular weight of 399.27 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide
PubChem CID71230209
Molecular FormulaC18H20Cl2N2O4
Molecular Weight399.27 g/mol
Exact Mass398.08
IUPAC Name2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide
SMILESCCC(Oc1ncc(Cl)cc1Cl)C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20Cl2N2O4/c1-4-14(26-18-13(20)8-12(19)10-22-18)17(23)21-9-11-5-6-15(24-2)16(7-11)25-3/h5-8,10,14H,4,9H2,1-3H3,(H,21,23)
InChIKeyPPCLXFHXIPFXRR-UHFFFAOYSA-N
XLogP3.88
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 29419335
(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide
CID 170433966
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 38003558
(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide
CID 90163472
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 46769433
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide
CID 99817873
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide
CID 54776981
methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate
CID 165431123
2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide
CID 89392118
2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide
CID 132659523
2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659512
(2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide
CID 71229893

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide?
The IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide (CID 71230209) is 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide is CCC(Oc1ncc(Cl)cc1Cl)C(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide?
The InChIKey is PPCLXFHXIPFXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4/c1-4-14(26-18-13(20)8-12(19)10-22-18)17(23)21-9-11-5-6-15(24-2)16(7-11)25-3/h5-8,10,14H,4,9H2,1-3H3,(H,21,23).
What are the key properties of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide?
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide has a molecular weight of 399.27 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 71230209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).