3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide

C16H15F3N2O3 — CID 86799712

IUPAC3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide
SMILESCc1ccc(C2COCCN2C(=O)Nc2cc(F)c(F)cc2F)o1
InChIInChI=1S/C16H15F3N2O3/c1-9-2-3-15(24-9)14-8-23-5-4-21(14)16(22)20-13-7-11(18)10(17)6-12(13)19/h2-3,6-7,14H,4-5,8H2,1H3,(H,20,22)
InChIKeyQIVYJYYRVSUHRT-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.61
Rot. Bonds2

About 3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide

3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide (PubChem CID 86799712) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide
PubChem CID86799712
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide
SMILESCc1ccc(C2COCCN2C(=O)Nc2cc(F)c(F)cc2F)o1
InChIInChI=1S/C16H15F3N2O3/c1-9-2-3-15(24-9)14-8-23-5-4-21(14)16(22)20-13-7-11(18)10(17)6-12(13)19/h2-3,6-7,14H,4-5,8H2,1H3,(H,20,22)
InChIKeyQIVYJYYRVSUHRT-UHFFFAOYSA-N
XLogP3.61
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide (CID 86799712) is 3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide is Cc1ccc(C2COCCN2C(=O)Nc2cc(F)c(F)cc2F)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide?
The InChIKey is QIVYJYYRVSUHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-9-2-3-15(24-9)14-8-23-5-4-21(14)16(22)20-13-7-11(18)10(17)6-12(13)19/h2-3,6-7,14H,4-5,8H2,1H3,(H,20,22).
What are the key properties of 3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide?
3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N-(2,4,5-trifluorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 86799712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).