N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C13H15ClF3NO2 — CID 103212847

IUPACN-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CCl)(NC(=O)COCC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H15ClF3NO2/c1-12(8-14,10-5-3-2-4-6-10)18-11(19)7-20-9-13(15,16)17/h2-6H,7-9H2,1H3,(H,18,19)
InChIKeyOLECVJIWDWKOMO-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.84
Rot. Bonds6

About N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212847) has the molecular formula C13H15ClF3NO2 and a molecular weight of 309.72 g/mol. Its IUPAC name is N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212847
Molecular FormulaC13H15ClF3NO2
Molecular Weight309.72 g/mol
Exact Mass309.07
IUPAC NameN-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CCl)(NC(=O)COCC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H15ClF3NO2/c1-12(8-14,10-5-3-2-4-6-10)18-11(19)7-20-9-13(15,16)17/h2-6H,7-9H2,1H3,(H,18,19)
InChIKeyOLECVJIWDWKOMO-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)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

N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95308028
N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95308027
N-(1-chloro-2-phenylpropan-2-yl)-2-methylsulfonylacetamide
CID 105059666
N-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide
CID 105059797
N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide
CID 105059916
3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid
CID 103206127
N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide
CID 105059655
N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915357
N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide
CID 105060471
2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 116694252
2-(2,2-difluoro-2-phenylethoxy)acetic acid
CID 61328007
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103945351

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212847) is N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(CCl)(NC(=O)COCC(F)(F)F)c1ccccc1.
What is the InChIKey of N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is OLECVJIWDWKOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO2/c1-12(8-14,10-5-3-2-4-6-10)18-11(19)7-20-9-13(15,16)17/h2-6H,7-9H2,1H3,(H,18,19).
What are the key properties of N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 309.72 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).