N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide

C12H14F3NO2 — CID 78864188

IUPACN-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Oc1ccccc1)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-9(18-10-6-4-3-5-7-10)11(17)16(2)8-12(13,14)15/h3-7,9H,8H2,1-2H3
InChIKeyVYUBLWAUWGDHDW-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.47
Rot. Bonds4

About N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide

N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78864188) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78864188
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC NameN-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Oc1ccccc1)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-9(18-10-6-4-3-5-7-10)11(17)16(2)8-12(13,14)15/h3-7,9H,8H2,1-2H3
InChIKeyVYUBLWAUWGDHDW-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-methoxy-N-methyl-2-phenoxypropanamide
CID 95297395
N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 134028542
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide
CID 55580788
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
CID 111663070
2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide
CID 4940214
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 111543293
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid
CID 119172411
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
2-(4-cyanophenoxy)-N-methyl-N-(2-phenoxyethyl)propanamide
CID 51156822
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
CID 119653171

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide (CID 78864188) is N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide is CC(Oc1ccccc1)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is VYUBLWAUWGDHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-9(18-10-6-4-3-5-7-10)11(17)16(2)8-12(13,14)15/h3-7,9H,8H2,1-2H3.
What are the key properties of N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide?
N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 261.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78864188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).