N-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide

C12H13F4NO4 — CID 3239578

IUPACN-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
SMILESCOc1ccc(NC(=O)C(F)(OC)C(F)(F)F)c(OC)c1
InChIInChI=1S/C12H13F4NO4/c1-19-7-4-5-8(9(6-7)20-2)17-10(18)11(13,21-3)12(14,15)16/h4-6H,1-3H3,(H,17,18)
InChIKeyHBWUHALDFGFYNM-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.52
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide

N-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide (PubChem CID 3239578) has the molecular formula C12H13F4NO4 and a molecular weight of 311.23 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
PubChem CID3239578
Molecular FormulaC12H13F4NO4
Molecular Weight311.23 g/mol
Exact Mass311.08
IUPAC NameN-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
SMILESCOc1ccc(NC(=O)C(F)(OC)C(F)(F)F)c(OC)c1
InChIInChI=1S/C12H13F4NO4/c1-19-7-4-5-8(9(6-7)20-2)17-10(18)11(13,21-3)12(14,15)16/h4-6H,1-3H3,(H,17,18)
InChIKeyHBWUHALDFGFYNM-UHFFFAOYSA-N
XLogP2.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Ethoxy-2-hydroxyphenyl)acetamide
CID 78396
2,2,2-Trifluoro-N-(4-methoxy-phenyl)-acetamide
CID 101284
2'-(Trifluoromethoxy)acetanilide
CID 600772
Butanamide, N-(2,4-dimethoxyphenyl)-3-oxo-
CID 85564
1-(2,4-Dimethoxyphenyl)pyrrolidine-2,5-dione
CID 3584864
Acetamide, N-(2,4-dimethoxyphenyl)-
CID 89972
N-(2,4-dimethoxyphenyl)oxolane-2-carboxamide
CID 2933135
N~1~,N~6~-bis(2,4-dimethoxyphenyl)hexanediamide
CID 4601418
4-((2,4-Dimethoxyphenyl)amino)-4-oxobut-2-enoic acid
CID 708945
7-Methoxy-2H-1,4-benzoxazin-3(4H)-one
CID 11600770
3-Azepan-1-yl-N-(2,4-dimethoxy-phenyl)-propionamide
CID 2901116
N-(2,4-dimethoxyphenyl)propanamide
CID 699704

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide (CID 3239578) is N-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide is COc1ccc(NC(=O)C(F)(OC)C(F)(F)F)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide?
The InChIKey is HBWUHALDFGFYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO4/c1-19-7-4-5-8(9(6-7)20-2)17-10(18)11(13,21-3)12(14,15)16/h4-6H,1-3H3,(H,17,18).
What are the key properties of N-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide?
N-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide has a molecular weight of 311.23 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide is sourced from PubChem (CID 3239578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).