3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide

C11H14F2N2O2 — CID 82992258

IUPAC3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OCC(F)F)c(N)c1
InChIInChI=1S/C11H14F2N2O2/c1-15(2)11(16)7-3-4-9(8(14)5-7)17-6-10(12)13/h3-5,10H,6,14H2,1-2H3
InChIKeyZPDGXFPRVZQPLT-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.61
Rot. Bonds4

About 3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide

3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide (PubChem CID 82992258) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide
PubChem CID82992258
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OCC(F)F)c(N)c1
InChIInChI=1S/C11H14F2N2O2/c1-15(2)11(16)7-3-4-9(8(14)5-7)17-6-10(12)13/h3-5,10H,6,14H2,1-2H3
InChIKeyZPDGXFPRVZQPLT-UHFFFAOYSA-N
XLogP1.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-4-(2,2-difluoroethoxy)benzoate
CID 82006549
3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549
3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide
CID 82992732
3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide
CID 82989969
3-amino-N,N-dimethyl-4-(4-methylpentan-2-yloxy)benzamide
CID 82993187
2-(2,2-difluoroethoxy)-5-methylaniline
CID 19622888
ethyl 4-amino-3-(2,2-difluoroethoxy)benzoate
CID 82796062
3-amino-N,N-dimethyl-4-(1-phenylethoxy)benzamide
CID 82993190
3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide
CID 82990529
3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide
CID 82992971
3-amino-4-(2,5-difluorophenoxy)-N,N-dimethylbenzamide
CID 82992739
3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide
CID 82992737

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide (CID 82992258) is 3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(OCC(F)F)c(N)c1.
What is the InChIKey of 3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide?
The InChIKey is ZPDGXFPRVZQPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-15(2)11(16)7-3-4-9(8(14)5-7)17-6-10(12)13/h3-5,10H,6,14H2,1-2H3.
What are the key properties of 3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide?
3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide has a molecular weight of 244.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide is sourced from PubChem (CID 82992258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).