2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide

C11H11F4NO2 — CID 113250776

IUPAC2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C11H11F4NO2/c1-6-3-4-8(18-2)7(5-6)16-10(17)11(14,15)9(12)13/h3-5,9H,1-2H3,(H,16,17)
InChIKeyGRKFQVZWYIGNHV-UHFFFAOYSA-N
MW265.21 g/mol
LogP2.84
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide

2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 113250776) has the molecular formula C11H11F4NO2 and a molecular weight of 265.21 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID113250776
Molecular FormulaC11H11F4NO2
Molecular Weight265.21 g/mol
Exact Mass265.07
IUPAC Name2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C11H11F4NO2/c1-6-3-4-8(18-2)7(5-6)16-10(17)11(14,15)9(12)13/h3-5,9H,1-2H3,(H,16,17)
InChIKeyGRKFQVZWYIGNHV-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide 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

2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 103733044
N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108967888
2-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
CID 110438702
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
4,4,4-trifluoro-3-hydroxy-N-(2-methoxy-5-methylphenyl)-3-(trifluoromethyl)butanamide
CID 823256
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 3855926
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969538
N-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)benzamide
CID 7778212
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide (CID 113250776) is 2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is GRKFQVZWYIGNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO2/c1-6-3-4-8(18-2)7(5-6)16-10(17)11(14,15)9(12)13/h3-5,9H,1-2H3,(H,16,17).
What are the key properties of 2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide?
2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 265.21 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 113250776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).