(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide

C13H12F6N2O3 — CID 7796196

IUPAC(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H12F6N2O3/c1-6(10(22)21-11(23)20-2)24-9-4-7(12(14,15)16)3-8(5-9)13(17,18)19/h3-6H,1-2H3,(H2,20,21,22,23)/t6-/m1/s1
InChIKeyQHGYSWHQBAEANF-ZCFIWIBFSA-N
MW358.24 g/mol
LogP2.95
Rot. Bonds3

About (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide

(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide (PubChem CID 7796196) has the molecular formula C13H12F6N2O3 and a molecular weight of 358.24 g/mol. Its IUPAC name is (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide
PubChem CID7796196
Molecular FormulaC13H12F6N2O3
Molecular Weight358.24 g/mol
Exact Mass358.08
IUPAC Name(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H12F6N2O3/c1-6(10(22)21-11(23)20-2)24-9-4-7(12(14,15)16)3-8(5-9)13(17,18)19/h3-6H,1-2H3,(H2,20,21,22,23)/t6-/m1/s1
InChIKeyQHGYSWHQBAEANF-ZCFIWIBFSA-N
XLogP2.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenoxy]propanamide
CID 13242436
(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide
CID 7817429
(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide
CID 2400517
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
CID 16526072
4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid
CID 66436450
2-[(6-fluoro-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide
CID 115371762
2-[3-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115863
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984870
(2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 8764804
(3S)-3-[3-chloro-5-(trifluoromethyl)phenoxy]butan-2-one
CID 159441431
2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107709553
2-(4-carbamothioylphenoxy)-N-(methylcarbamoyl)propanamide
CID 43116873

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide (CID 7796196) is (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The InChIKey is QHGYSWHQBAEANF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C13H12F6N2O3/c1-6(10(22)21-11(23)20-2)24-9-4-7(12(14,15)16)3-8(5-9)13(17,18)19/h3-6H,1-2H3,(H2,20,21,22,23)/t6-/m1/s1.
What are the key properties of (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide has a molecular weight of 358.24 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 7796196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).