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

C21H23F3N4O3 — CID 46889057

IUPACN-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESO=C(Nc1ccc(C(=O)NCCN2CCOCC2)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H23F3N4O3/c22-21(23,24)16-3-7-18(8-4-16)27-20(30)26-17-5-1-15(2-6-17)19(29)25-9-10-28-11-13-31-14-12-28/h1-8H,9-14H2,(H,25,29)(H2,26,27,30)
InChIKeyMSZHKIPFHPJFGM-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.41
Rot. Bonds6

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

N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide (PubChem CID 46889057) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
PubChem CID46889057
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC NameN-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESO=C(Nc1ccc(C(=O)NCCN2CCOCC2)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H23F3N4O3/c22-21(23,24)16-3-7-18(8-4-16)27-20(30)26-17-5-1-15(2-6-17)19(29)25-9-10-28-11-13-31-14-12-28/h1-8H,9-14H2,(H,25,29)(H2,26,27,30)
InChIKeyMSZHKIPFHPJFGM-UHFFFAOYSA-N
XLogP3.41
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide (CID 46889057) is N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide is O=C(Nc1ccc(C(=O)NCCN2CCOCC2)cc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The InChIKey is MSZHKIPFHPJFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c22-21(23,24)16-3-7-18(8-4-16)27-20(30)26-17-5-1-15(2-6-17)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-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide has a molecular weight of 436.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 46889057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).