2-hydroxy-4-(3-morpholin-4-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide

C21H23F3N2O4 — CID 91937891

IUPAC2-hydroxy-4-(3-morpholin-4-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OCCCN2CCOCC2)cc1O
InChIInChI=1S/C21H23F3N2O4/c22-21(23,24)15-3-1-4-16(13-15)25-20(28)18-6-5-17(14-19(18)27)30-10-2-7-26-8-11-29-12-9-26/h1,3-6,13-14,27H,2,7-12H2,(H,25,28)
InChIKeyCFJXGGYAQVCEEE-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.76
Rot. Bonds7

About 2-hydroxy-4-(3-morpholin-4-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide

2-hydroxy-4-(3-morpholin-4-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 91937891) has the molecular formula C21H23F3N2O4 and a molecular weight of 424.42 g/mol. Its IUPAC name is 2-hydroxy-4-(3-morpholin-4-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-(3-morpholin-4-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID91937891
Molecular FormulaC21H23F3N2O4
Molecular Weight424.42 g/mol
Exact Mass424.16
IUPAC Name2-hydroxy-4-(3-morpholin-4-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OCCCN2CCOCC2)cc1O
InChIInChI=1S/C21H23F3N2O4/c22-21(23,24)15-3-1-4-16(13-15)25-20(28)18-6-5-17(14-19(18)27)30-10-2-7-26-8-11-29-12-9-26/h1,3-6,13-14,27H,2,7-12H2,(H,25,28)
InChIKeyCFJXGGYAQVCEEE-UHFFFAOYSA-N
XLogP3.76
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-hydroxy-4-(3-morpholin-4-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-hydroxy-4-(3-morpholin-4-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 91937891) is 2-hydroxy-4-(3-morpholin-4-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-(3-morpholin-4-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-hydroxy-4-(3-morpholin-4-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OCCCN2CCOCC2)cc1O.
What is the InChIKey of 2-hydroxy-4-(3-morpholin-4-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is CFJXGGYAQVCEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O4/c22-21(23,24)15-3-1-4-16(13-15)25-20(28)18-6-5-17(14-19(18)27)30-10-2-7-26-8-11-29-12-9-26/h1,3-6,13-14,27H,2,7-12H2,(H,25,28).
What are the key properties of 2-hydroxy-4-(3-morpholin-4-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide?
2-hydroxy-4-(3-morpholin-4-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 424.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(3-morpholin-4-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 91937891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).