3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(4-hydroxybutyl)benzamide

C17H18Cl2N2O3 — CID 44571159

IUPAC3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(4-hydroxybutyl)benzamide
SMILESO=C(NCCCCO)c1ccc(OCc2cc(Cl)ccn2)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O3/c18-13-5-7-20-14(10-13)11-24-16-4-3-12(9-15(16)19)17(23)21-6-1-2-8-22/h3-5,7,9-10,22H,1-2,6,8,11H2,(H,21,23)
InChIKeyPXBJOPVKZQDXIV-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.47
Rot. Bonds8

About 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(4-hydroxybutyl)benzamide

3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(4-hydroxybutyl)benzamide (PubChem CID 44571159) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(4-hydroxybutyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(4-hydroxybutyl)benzamide
PubChem CID44571159
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(4-hydroxybutyl)benzamide
SMILESO=C(NCCCCO)c1ccc(OCc2cc(Cl)ccn2)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O3/c18-13-5-7-20-14(10-13)11-24-16-4-3-12(9-15(16)19)17(23)21-6-1-2-8-22/h3-5,7,9-10,22H,1-2,6,8,11H2,(H,21,23)
InChIKeyPXBJOPVKZQDXIV-UHFFFAOYSA-N
XLogP3.47
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(4-hydroxybutyl)benzamide?
The IUPAC name of 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(4-hydroxybutyl)benzamide (CID 44571159) is 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(4-hydroxybutyl)benzamide.
What is the SMILES notation for 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(4-hydroxybutyl)benzamide?
The canonical SMILES for 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(4-hydroxybutyl)benzamide is O=C(NCCCCO)c1ccc(OCc2cc(Cl)ccn2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(4-hydroxybutyl)benzamide?
The InChIKey is PXBJOPVKZQDXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c18-13-5-7-20-14(10-13)11-24-16-4-3-12(9-15(16)19)17(23)21-6-1-2-8-22/h3-5,7,9-10,22H,1-2,6,8,11H2,(H,21,23).
What are the key properties of 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(4-hydroxybutyl)benzamide?
3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(4-hydroxybutyl)benzamide has a molecular weight of 369.25 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-chloro-2-pyridinyl)methoxy]-N-(4-hydroxybutyl)benzamide is sourced from PubChem (CID 44571159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).