1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide

C17H19F3N2O3 — CID 45196814

IUPAC1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(C(=O)N2CCOC(Cc3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)12-3-1-2-11(8-12)9-13-10-22(6-7-25-13)15(24)16(4-5-16)14(21)23/h1-3,8,13H,4-7,9-10H2,(H2,21,23)
InChIKeyPDJJDFPNLSJISS-UHFFFAOYSA-N
MW356.34 g/mol
LogP1.74
Rot. Bonds4

About 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide

1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide (PubChem CID 45196814) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
PubChem CID45196814
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(C(=O)N2CCOC(Cc3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)12-3-1-2-11(8-12)9-13-10-22(6-7-25-13)15(24)16(4-5-16)14(21)23/h1-3,8,13H,4-7,9-10H2,(H2,21,23)
InChIKeyPDJJDFPNLSJISS-UHFFFAOYSA-N
XLogP1.74
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide (CID 45196814) is 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide is NC(=O)C1(C(=O)N2CCOC(Cc3cccc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is PDJJDFPNLSJISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c18-17(19,20)12-3-1-2-11(8-12)9-13-10-22(6-7-25-13)15(24)16(4-5-16)14(21)23/h1-3,8,13H,4-7,9-10H2,(H2,21,23).
What are the key properties of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 356.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 45196814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).