N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide

C21H23F3N4O4 — CID 10072550

IUPACN-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C21H23F3N4O4/c22-21(23,24)32-18-7-5-17(6-8-18)27-20(30)26-16-3-1-15(2-4-16)19(29)25-9-10-28-11-13-31-14-12-28/h1-8H,9-14H2,(H,25,29)(H2,26,27,30)
InChIKeyFBZXHFGBDVKCES-UHFFFAOYSA-N
MW452.43 g/mol
LogP3.29
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide

N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide (PubChem CID 10072550) has the molecular formula C21H23F3N4O4 and a molecular weight of 452.43 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide
PubChem CID10072550
Molecular FormulaC21H23F3N4O4
Molecular Weight452.43 g/mol
Exact Mass452.17
IUPAC NameN-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C21H23F3N4O4/c22-21(23,24)32-18-7-5-17(6-8-18)27-20(30)26-16-3-1-15(2-4-16)19(29)25-9-10-28-11-13-31-14-12-28/h1-8H,9-14H2,(H,25,29)(H2,26,27,30)
InChIKeyFBZXHFGBDVKCES-UHFFFAOYSA-N
XLogP3.29
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide (CID 10072550) is N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide is O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide?
The InChIKey is FBZXHFGBDVKCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O4/c22-21(23,24)32-18-7-5-17(6-8-18)27-20(30)26-16-3-1-15(2-4-16)19(29)25-9-10-28-11-13-31-14-12-28/h1-8H,9-14H2,(H,25,29)(H2,26,27,30).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide?
N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide has a molecular weight of 452.43 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 10072550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).