N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide

C10H10F3NO3 — CID 885871

IUPACN-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCOc1cc(NC(=O)C(F)(F)F)cc(OC)c1
InChIInChI=1S/C10H10F3NO3/c1-16-7-3-6(4-8(5-7)17-2)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15)
InChIKeyJBVIFDIYLLRZDA-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.20
Rot. Bonds3

About N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide

N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide (PubChem CID 885871) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
PubChem CID885871
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC NameN-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCOc1cc(NC(=O)C(F)(F)F)cc(OC)c1
InChIInChI=1S/C10H10F3NO3/c1-16-7-3-6(4-8(5-7)17-2)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15)
InChIKeyJBVIFDIYLLRZDA-UHFFFAOYSA-N
XLogP2.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide 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-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731911
N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 104936417
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide
CID 175874136
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 2764507
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide
CID 131964350
2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide
CID 67082899
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide (CID 885871) is N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide is COc1cc(NC(=O)C(F)(F)F)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is JBVIFDIYLLRZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-16-7-3-6(4-8(5-7)17-2)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15).
What are the key properties of N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide?
N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 249.19 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 885871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).