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

C14H17F3N2O2 — CID 655533

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C14H17F3N2O2/c1-2-13(20)18-11-9-10(14(15,16)17)3-4-12(11)19-5-7-21-8-6-19/h3-4,9H,2,5-8H2,1H3,(H,18,20)
InChIKeyLCFBAENDBFENQW-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.89
Rot. Bonds3

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

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 655533) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
PubChem CID655533
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C14H17F3N2O2/c1-2-13(20)18-11-9-10(14(15,16)17)3-4-12(11)19-5-7-21-8-6-19/h3-4,9H,2,5-8H2,1H3,(H,18,20)
InChIKeyLCFBAENDBFENQW-UHFFFAOYSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.89
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]propanamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide (CID 655533) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide is CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is LCFBAENDBFENQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-2-13(20)18-11-9-10(14(15,16)17)3-4-12(11)19-5-7-21-8-6-19/h3-4,9H,2,5-8H2,1H3,(H,18,20).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 302.30 g/mol, XLogP of 2.89, 3 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]propanamide is sourced from PubChem (CID 655533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).