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

C21H23F3N2O3 — CID 44590792

IUPACN-[3-(3-morpholin-4-ylpropoxy)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(OCCCN2CCOCC2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H23F3N2O3/c22-21(23,24)17-7-5-16(6-8-17)20(27)25-18-3-1-4-19(15-18)29-12-2-9-26-10-13-28-14-11-26/h1,3-8,15H,2,9-14H2,(H,25,27)
InChIKeyXRJYNMBTVXXQKR-UHFFFAOYSA-N
MW408.42 g/mol
LogP4.06
Rot. Bonds7

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

N-[3-(3-morpholin-4-ylpropoxy)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 44590792) has the molecular formula C21H23F3N2O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is N-[3-(3-morpholin-4-ylpropoxy)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(3-morpholin-4-ylpropoxy)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID44590792
Molecular FormulaC21H23F3N2O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC NameN-[3-(3-morpholin-4-ylpropoxy)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(OCCCN2CCOCC2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H23F3N2O3/c22-21(23,24)17-7-5-16(6-8-17)20(27)25-18-3-1-4-19(15-18)29-12-2-9-26-10-13-28-14-11-26/h1,3-8,15H,2,9-14H2,(H,25,27)
InChIKeyXRJYNMBTVXXQKR-UHFFFAOYSA-N
XLogP4.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[3-(3-morpholin-4-ylpropoxy)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(3-morpholin-4-ylpropoxy)phenyl]-4-(trifluoromethyl)benzamide (CID 44590792) is N-[3-(3-morpholin-4-ylpropoxy)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(3-morpholin-4-ylpropoxy)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(3-morpholin-4-ylpropoxy)phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1cccc(OCCCN2CCOCC2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-(3-morpholin-4-ylpropoxy)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is XRJYNMBTVXXQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3/c22-21(23,24)17-7-5-16(6-8-17)20(27)25-18-3-1-4-19(15-18)29-12-2-9-26-10-13-28-14-11-26/h1,3-8,15H,2,9-14H2,(H,25,27).
What are the key properties of N-[3-(3-morpholin-4-ylpropoxy)phenyl]-4-(trifluoromethyl)benzamide?
N-[3-(3-morpholin-4-ylpropoxy)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 408.42 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-morpholin-4-ylpropoxy)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 44590792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).