3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide

C22H20ClFN2O3 — CID 90645439

IUPAC3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(-c2cccc(OCCc3cc(F)cc(Cl)c3)n2)c1
InChIInChI=1S/C22H20ClFN2O3/c23-18-11-15(12-19(24)14-18)7-10-29-21-6-2-5-20(26-21)16-3-1-4-17(13-16)22(28)25-8-9-27/h1-6,11-14,27H,7-10H2,(H,25,28)
InChIKeyDHDZMCZZSVJZDH-UHFFFAOYSA-N
MW414.86 g/mol
LogP3.88
Rot. Bonds8

About 3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide

3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide (PubChem CID 90645439) has the molecular formula C22H20ClFN2O3 and a molecular weight of 414.86 g/mol. Its IUPAC name is 3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide
PubChem CID90645439
Molecular FormulaC22H20ClFN2O3
Molecular Weight414.86 g/mol
Exact Mass414.11
IUPAC Name3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(-c2cccc(OCCc3cc(F)cc(Cl)c3)n2)c1
InChIInChI=1S/C22H20ClFN2O3/c23-18-11-15(12-19(24)14-18)7-10-29-21-6-2-5-20(26-21)16-3-1-4-17(13-16)22(28)25-8-9-27/h1-6,11-14,27H,7-10H2,(H,25,28)
InChIKeyDHDZMCZZSVJZDH-UHFFFAOYSA-N
XLogP3.88
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.86
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide (CID 90645439) is 3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1cccc(-c2cccc(OCCc3cc(F)cc(Cl)c3)n2)c1.
What is the InChIKey of 3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is DHDZMCZZSVJZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3/c23-18-11-15(12-19(24)14-18)7-10-29-21-6-2-5-20(26-21)16-3-1-4-17(13-16)22(28)25-8-9-27/h1-6,11-14,27H,7-10H2,(H,25,28).
What are the key properties of 3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide?
3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 414.86 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(3-chloro-5-fluorophenyl)ethoxy]-2-pyridinyl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 90645439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).