2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C15H17ClF3NO2 — CID 71796124

IUPAC2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1ccccc1Cl)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C15H17ClF3NO2/c16-13-4-2-1-3-11(13)9-14(21)20(10-15(17,18)19)12-5-7-22-8-6-12/h1-4,12H,5-10H2
InChIKeyYOYWDYAVOVINML-UHFFFAOYSA-N
MW335.75 g/mol
LogP3.45
Rot. Bonds4

About 2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71796124) has the molecular formula C15H17ClF3NO2 and a molecular weight of 335.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71796124
Molecular FormulaC15H17ClF3NO2
Molecular Weight335.75 g/mol
Exact Mass335.09
IUPAC Name2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1ccccc1Cl)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C15H17ClF3NO2/c16-13-4-2-1-3-11(13)9-14(21)20(10-15(17,18)19)12-5-7-22-8-6-12/h1-4,12H,5-10H2
InChIKeyYOYWDYAVOVINML-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)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-(2-Chlorophenyl)-1-morpholin-4-ylethanone
CID 1245975
Ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 1094120
Ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 2963116
2-(2-Chloro-6-fluorophenyl)-1-morpholin-4-ylethanone
CID 974102
2-(2-Chlorophenyl)-2-(2-piperidin-1-ylethyl)-4-[propan-2-yl-(2,2,2-trifluoroacetyl)amino]butanamide
CID 15035420
2-(2-Chloro-6-fluorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)ethanone
CID 1246212
2-(2-Chloro-6-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-YL]ethan-1-one
CID 53150833
2-(2-Chlorophenyl)-1-(4-(2,2,2-trifluoroethyl)piperazin-1-yl)ethanone hydrochloride
CID 71782670
3-chloro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 71796096
2-Chloro-6-fluoro-N-(oxan-4-YL)-N-(2,2,2-trifluoroethyl)benzamide
CID 71796098
2-(2-Chloro-6-fluorophenyl)-N-methyl-N-[(oxan-4-YL)methyl]acetamide
CID 91905262
2-(2-Chloro-6-fluorophenyl)-N-[(oxolan-3-YL)methyl]-N-propylacetamide
CID 91915467

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 71796124) is 2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cc1ccccc1Cl)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YOYWDYAVOVINML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3NO2/c16-13-4-2-1-3-11(13)9-14(21)20(10-15(17,18)19)12-5-7-22-8-6-12/h1-4,12H,5-10H2.
What are the key properties of 2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 335.75 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71796124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).