(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide

C12H14F3NO2 — CID 51943627

IUPAC(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)OCC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-8-4-3-5-10(6-8)16-11(17)9(2)18-7-12(13,14)15/h3-6,9H,7H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyHEVPDYWMMWAUNT-VIFPVBQESA-N
MW261.24 g/mol
LogP2.90
Rot. Bonds4

About (2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide

(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 51943627) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is (2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID51943627
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)OCC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-8-4-3-5-10(6-8)16-11(17)9(2)18-7-12(13,14)15/h3-6,9H,7H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyHEVPDYWMMWAUNT-VIFPVBQESA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38925963
N-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide
CID 51725511
(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide
CID 2400517
4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide
CID 42960594
N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 16789668
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838412
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938244
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38884944
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 51943627) is (2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide is Cc1cccc(NC(=O)[C@H](C)OCC(F)(F)F)c1.
What is the InChIKey of (2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is HEVPDYWMMWAUNT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-8-4-3-5-10(6-8)16-11(17)9(2)18-7-12(13,14)15/h3-6,9H,7H2,1-2H3,(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 261.24 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 51943627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).