N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide

C17H16F3NO2 — CID 86915357

IUPACN-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)12-23-11-15(22)21-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,21,22)
InChIKeyRTCXMHWYAWSQBJ-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.47
Rot. Bonds6

About N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide

N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86915357) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86915357
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)12-23-11-15(22)21-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,21,22)
InChIKeyRTCXMHWYAWSQBJ-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzhydryl-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-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103945351
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-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212909
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154
[2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4854042
[2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834182
N-[(4-fluorophenyl)-phenylmethyl]-2-methoxyacetamide
CID 47161833
2-(cyclopropylmethoxy)-N-[(S)-phenyl(pyridin-4-yl)methyl]acetamide
CID 95150141
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]propanamide
CID 68870970
N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97053597

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide (CID 86915357) is N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is RTCXMHWYAWSQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c18-17(19,20)12-23-11-15(22)21-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,21,22).
What are the key properties of N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide?
N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 323.31 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86915357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).