3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide

C21H19ClN2O2 — CID 45174151

IUPAC3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CC(c1cccc(O)c1)c1ccccc1Cl)NCc1cccnc1
InChIInChI=1S/C21H19ClN2O2/c22-20-9-2-1-8-18(20)19(16-6-3-7-17(25)11-16)12-21(26)24-14-15-5-4-10-23-13-15/h1-11,13,19,25H,12,14H2,(H,24,26)
InChIKeySIZVHTDLKGNUHG-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.28
Rot. Bonds6

About 3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide

3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 45174151) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID45174151
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CC(c1cccc(O)c1)c1ccccc1Cl)NCc1cccnc1
InChIInChI=1S/C21H19ClN2O2/c22-20-9-2-1-8-18(20)19(16-6-3-7-17(25)11-16)12-21(26)24-14-15-5-4-10-23-13-15/h1-11,13,19,25H,12,14H2,(H,24,26)
InChIKeySIZVHTDLKGNUHG-UHFFFAOYSA-N
XLogP4.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide (CID 45174151) is 3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide is O=C(CC(c1cccc(O)c1)c1ccccc1Cl)NCc1cccnc1.
What is the InChIKey of 3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is SIZVHTDLKGNUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-20-9-2-1-8-18(20)19(16-6-3-7-17(25)11-16)12-21(26)24-14-15-5-4-10-23-13-15/h1-11,13,19,25H,12,14H2,(H,24,26).
What are the key properties of 3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 366.85 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 45174151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).