3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide

C21H22F3N3O3 — CID 152621995

IUPAC3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccccc1-c1cc(C(=O)NCCN2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H22F3N3O3/c22-21(23,24)16-12-14(17-3-1-2-4-18(17)19(25)28)11-15(13-16)20(29)26-5-6-27-7-9-30-10-8-27/h1-4,11-13H,5-10H2,(H2,25,28)(H,26,29)
InChIKeyZBSIYJANSWVTRE-UHFFFAOYSA-N
MW421.42 g/mol
LogP2.53
Rot. Bonds6

About 3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide

3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide (PubChem CID 152621995) has the molecular formula C21H22F3N3O3 and a molecular weight of 421.42 g/mol. Its IUPAC name is 3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide
PubChem CID152621995
Molecular FormulaC21H22F3N3O3
Molecular Weight421.42 g/mol
Exact Mass421.16
IUPAC Name3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccccc1-c1cc(C(=O)NCCN2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H22F3N3O3/c22-21(23,24)16-12-14(17-3-1-2-4-18(17)19(25)28)11-15(13-16)20(29)26-5-6-27-7-9-30-10-8-27/h1-4,11-13H,5-10H2,(H2,25,28)(H,26,29)
InChIKeyZBSIYJANSWVTRE-UHFFFAOYSA-N
XLogP2.53
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 154260124
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 119446681
2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]benzamide
CID 155539093
N-(2-morpholin-4-ylethyl)-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 10091411
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109229551
N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109154183
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
N-(2-morpholin-4-ylethyl)-4-sulfamoylbenzamide
CID 25060315
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide (CID 152621995) is 3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide is NC(=O)c1ccccc1-c1cc(C(=O)NCCN2CCOCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide?
The InChIKey is ZBSIYJANSWVTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O3/c22-21(23,24)16-12-14(17-3-1-2-4-18(17)19(25)28)11-15(13-16)20(29)26-5-6-27-7-9-30-10-8-27/h1-4,11-13H,5-10H2,(H2,25,28)(H,26,29).
What are the key properties of 3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide?
3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide has a molecular weight of 421.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 152621995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).