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

C15H19F3N2O2 — CID 698316

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C15H19F3N2O2/c1-2-3-14(21)19-12-10-11(15(16,17)18)4-5-13(12)20-6-8-22-9-7-20/h4-5,10H,2-3,6-9H2,1H3,(H,19,21)
InChIKeyGTVQWDJBNNLEMM-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.28
Rot. Bonds4

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

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide (PubChem CID 698316) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
PubChem CID698316
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C15H19F3N2O2/c1-2-3-14(21)19-12-10-11(15(16,17)18)4-5-13(12)20-6-8-22-9-7-20/h4-5,10H,2-3,6-9H2,1H3,(H,19,21)
InChIKeyGTVQWDJBNNLEMM-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide (CID 698316) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide is CCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide?
The InChIKey is GTVQWDJBNNLEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-2-3-14(21)19-12-10-11(15(16,17)18)4-5-13(12)20-6-8-22-9-7-20/h4-5,10H,2-3,6-9H2,1H3,(H,19,21).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide has a molecular weight of 316.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 698316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).