N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide

C18H17F3N2O2 — CID 2161594

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)14-6-7-16(23-8-10-25-11-9-23)15(12-14)22-17(24)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,22,24)
InChIKeyFLWUZWQCTGOIFK-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.79
Rot. Bonds3

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 2161594) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID2161594
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)14-6-7-16(23-8-10-25-11-9-23)15(12-14)22-17(24)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,22,24)
InChIKeyFLWUZWQCTGOIFK-UHFFFAOYSA-N
XLogP3.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (CID 2161594) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FLWUZWQCTGOIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)14-6-7-16(23-8-10-25-11-9-23)15(12-14)22-17(24)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,22,24).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 350.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2161594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).