2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide

C15H19F3N2O2 — CID 892077

IUPAC2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C15H19F3N2O2/c1-10(2)14(21)19-12-9-11(15(16,17)18)3-4-13(12)20-5-7-22-8-6-20/h3-4,9-10H,5-8H2,1-2H3,(H,19,21)
InChIKeyVKIZTABCDGAQAH-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.14
Rot. Bonds3

About 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide

2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 892077) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
PubChem CID892077
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C15H19F3N2O2/c1-10(2)14(21)19-12-9-11(15(16,17)18)3-4-13(12)20-5-7-22-8-6-20/h3-4,9-10H,5-8H2,1-2H3,(H,19,21)
InChIKeyVKIZTABCDGAQAH-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine
CID 136624
2'-Amino-4'-trifluoromethylacetanilide
CID 2779452
(3z)-3-{[(2-Methoxyethyl)amino]methylidene}-1-Methyl-5-Phenyl-7-(Trifluoromethyl)-1h-1,5-Benzodiazepine-2,4(3h,5h)-Dione
CID 53357432
N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 740682
3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1086047
4-Morpholineacetamide, N-(2-methylphenyl)-, monohydrochloride
CID 2827840
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
N-(2,3-Dimethylphenyl)-2-(morpholin-4-YL)acetamide
CID 755358
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 698316
N-(3,4-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 856321
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 953311
2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide
CID 2349022

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide (CID 892077) is 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide is CC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is VKIZTABCDGAQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-10(2)14(21)19-12-9-11(15(16,17)18)3-4-13(12)20-5-7-22-8-6-20/h3-4,9-10H,5-8H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 316.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 892077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).