3-chloro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C23H19ClF3N3O2 — CID 59672583

IUPAC3-chloro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ncccc2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C23H19ClF3N3O2/c24-20-14-15(3-8-18(20)21-19(23(25,26)27)2-1-9-28-21)22(31)29-16-4-6-17(7-5-16)30-10-12-32-13-11-30/h1-9,14H,10-13H2,(H,29,31)
InChIKeyGXXBEIJXCRTWOY-UHFFFAOYSA-N
MW461.87 g/mol
LogP5.51
Rot. Bonds4

About 3-chloro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

3-chloro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59672583) has the molecular formula C23H19ClF3N3O2 and a molecular weight of 461.87 g/mol. Its IUPAC name is 3-chloro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59672583
Molecular FormulaC23H19ClF3N3O2
Molecular Weight461.87 g/mol
Exact Mass461.11
IUPAC Name3-chloro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ncccc2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C23H19ClF3N3O2/c24-20-14-15(3-8-18(20)21-19(23(25,26)27)2-1-9-28-21)22(31)29-16-4-6-17(7-5-16)30-10-12-32-13-11-30/h1-9,14H,10-13H2,(H,29,31)
InChIKeyGXXBEIJXCRTWOY-UHFFFAOYSA-N
XLogP5.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.87
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59672583) is 3-chloro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ncccc2C(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is GXXBEIJXCRTWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N3O2/c24-20-14-15(3-8-18(20)21-19(23(25,26)27)2-1-9-28-21)22(31)29-16-4-6-17(7-5-16)30-10-12-32-13-11-30/h1-9,14H,10-13H2,(H,29,31).
What are the key properties of 3-chloro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
3-chloro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 461.87 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59672583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).