3,3,3-trifluoro-2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-2-(trifluoromethyl)propanamide

C17H20F6N2O2 — CID 45484728

IUPAC3,3,3-trifluoro-2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-2-(trifluoromethyl)propanamide
SMILESCc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1CN1CCOCC1
InChIInChI=1S/C17H20F6N2O2/c1-11-3-4-13(9-12(11)10-25-5-7-27-8-6-25)24-14(26)15(2,16(18,19)20)17(21,22)23/h3-4,9H,5-8,10H2,1-2H3,(H,24,26)
InChIKeyGZEWXBGMEDJEHN-UHFFFAOYSA-N
MW398.35 g/mol
LogP3.90
Rot. Bonds4

About 3,3,3-trifluoro-2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-2-(trifluoromethyl)propanamide (PubChem CID 45484728) has the molecular formula C17H20F6N2O2 and a molecular weight of 398.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-2-(trifluoromethyl)propanamide
PubChem CID45484728
Molecular FormulaC17H20F6N2O2
Molecular Weight398.35 g/mol
Exact Mass398.14
IUPAC Name3,3,3-trifluoro-2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-2-(trifluoromethyl)propanamide
SMILESCc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1CN1CCOCC1
InChIInChI=1S/C17H20F6N2O2/c1-11-3-4-13(9-12(11)10-25-5-7-27-8-6-25)24-14(26)15(2,16(18,19)20)17(21,22)23/h3-4,9H,5-8,10H2,1-2H3,(H,24,26)
InChIKeyGZEWXBGMEDJEHN-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-2-(trifluoromethyl)propanamide (CID 45484728) is 3,3,3-trifluoro-2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-2-(trifluoromethyl)propanamide is Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1CN1CCOCC1.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-2-(trifluoromethyl)propanamide?
The InChIKey is GZEWXBGMEDJEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F6N2O2/c1-11-3-4-13(9-12(11)10-25-5-7-27-8-6-25)24-14(26)15(2,16(18,19)20)17(21,22)23/h3-4,9H,5-8,10H2,1-2H3,(H,24,26).
What are the key properties of 3,3,3-trifluoro-2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-2-(trifluoromethyl)propanamide has a molecular weight of 398.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 45484728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).