Morniflumate

C19H20F3N3O3CAS 65847-85-0395.38 g/mol

Open in Covalent MOL file
OONONHNFFF
Alkyl halideEsterEtherSecondary amineTertiary amine

Properties

Molecular formula
C19H20F3N3O3
Molar mass
395.38 g/mol
Exact mass
395.1457 Da
logP
3.33Crippen estimate
Polar surface area
63.7 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P501

Identifiers

CAS number
65847-85-0
SMILES
O=C(OCCN1CCOCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIKey
LDXSPUSKBDTEKA-UHFFFAOYSA-N
InChI
InChI=1S/C19H20F3N3O3/c20-19(21,22)14-3-1-4-15(13-14)24-17-16(5-2-6-23-17)18(26)28-12-9-25-7-10-27-11-8-25/h1-6,13H,7-12H2,(H,23,24)

Weigh it out

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Names and synonyms

5 names
  • 3-Pyridinecarboxylic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-, 2-(4-morpholinyl)ethyl ester
  • 2-[3-(Trifluoromethyl)anilino]nicotinic acid 2-morpholinoethyl ester
  • Niflumic acid β-morpholinoethyl ester
  • Flomax
  • UP 164

Work with Morniflumate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Talniflumate66898-62-261 % similar Niflumic acid4394-00-758 % similar Etofenamate30544-47-954 % similar Ufenamate67330-25-051 % similar Flufenamic acid530-78-940 % similar Ethyl 2-(Trifluoromethyl)nicotinate208517-35-539 % similar Ethyl 3-(trifluoromethyl)benzoate76783-59-036 % similar [3-(Trifluoromethyl)phenyl]hydrazine368-78-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Orbifloxacin113617-63-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook