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

C20H22F3N3O2 — CID 2326651

IUPAC3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1
InChIInChI=1S/C20H22F3N3O2/c1-25(2)16-5-3-4-14(12-16)19(27)24-17-13-15(20(21,22)23)6-7-18(17)26-8-10-28-11-9-26/h3-7,12-13H,8-11H2,1-2H3,(H,24,27)
InChIKeyWOGYPQQJOXKKKY-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.86
Rot. Bonds4

About 3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide

3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 2326651) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID2326651
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1
InChIInChI=1S/C20H22F3N3O2/c1-25(2)16-5-3-4-14(12-16)19(27)24-17-13-15(20(21,22)23)6-7-18(17)26-8-10-28-11-9-26/h3-7,12-13H,8-11H2,1-2H3,(H,24,27)
InChIKeyWOGYPQQJOXKKKY-UHFFFAOYSA-N
XLogP3.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-(2,4-dimorpholin-4-ylphenyl)benzamide
CID 26072175
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
4-hydroxy-3-methoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 993001
3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 55616983
4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2093034
4-morpholin-4-yl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 2994111
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3569749
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 2433948
3-fluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 1194264
4-(2-methylpropoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3500229

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (CID 2326651) is 3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is CN(C)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is WOGYPQQJOXKKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-25(2)16-5-3-4-14(12-16)19(27)24-17-13-15(20(21,22)23)6-7-18(17)26-8-10-28-11-9-26/h3-7,12-13H,8-11H2,1-2H3,(H,24,27).
What are the key properties of 3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 393.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2326651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).