2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide

C18H19F3N2O2 — CID 166194514

IUPAC2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide
SMILESCN(CCC(F)(F)F)CC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H19F3N2O2/c1-23(12-11-18(19,20)21)13-17(24)22-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,22,24)
InChIKeyCZIZGBKJNOEZNN-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.30
Rot. Bonds7

About 2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide

2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide (PubChem CID 166194514) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide
PubChem CID166194514
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide
SMILESCN(CCC(F)(F)F)CC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H19F3N2O2/c1-23(12-11-18(19,20)21)13-17(24)22-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,22,24)
InChIKeyCZIZGBKJNOEZNN-UHFFFAOYSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide 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

2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-phenoxyphenyl)acetamide
CID 9049215
4-[methyl-[3-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]propyl]amino]benzoic acid
CID 69418921
4-[[4-[[2-oxo-2-(4-phenoxyanilino)ethyl]-(3,3,3-trifluoropropyl)amino]piperidin-1-yl]methyl]benzoic acid
CID 69400565
ethyl 2-[methyl-[3-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]propyl]amino]hexanoate
CID 69400815
2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide
CID 23653294
N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 9040068
N-(4-acetylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797842
2-(N-acetyl-2-methylanilino)-N-(4-phenoxyphenyl)acetamide
CID 113167416
4-[[ethyl-[2-[ethyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]ethyl]amino]methyl]benzoic acid
CID 69401017
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 8746165

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide (CID 166194514) is 2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide is CN(CCC(F)(F)F)CC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is CZIZGBKJNOEZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-23(12-11-18(19,20)21)13-17(24)22-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,22,24).
What are the key properties of 2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide?
2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 352.36 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 166194514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).