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

C15H14F2N2O2 — CID 82992737

IUPAC3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2cccc(F)c2F)c(N)c1
InChIInChI=1S/C15H14F2N2O2/c1-19(2)15(20)9-6-7-12(11(18)8-9)21-13-5-3-4-10(16)14(13)17/h3-8H,18H2,1-2H3
InChIKeyVLKPGIPBHUTCJN-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.04
Rot. Bonds3

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

3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide (PubChem CID 82992737) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide
PubChem CID82992737
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2cccc(F)c2F)c(N)c1
InChIInChI=1S/C15H14F2N2O2/c1-19(2)15(20)9-6-7-12(11(18)8-9)21-13-5-3-4-10(16)14(13)17/h3-8H,18H2,1-2H3
InChIKeyVLKPGIPBHUTCJN-UHFFFAOYSA-N
XLogP3.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.04
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

3-amino-4-(2,5-difluorophenoxy)-N,N-dimethylbenzamide
CID 82992739
3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide
CID 82993412
3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide
CID 82989678
3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide
CID 82992971
4-amino-3-(2,3-difluorophenoxy)-N-ethylbenzamide
CID 63358780
3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide
CID 82990529
3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide
CID 82992258
3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide
CID 82990211
3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549
methyl 2-amino-5-(2,3-difluorophenoxy)-4-fluorobenzoate
CID 63036791
3-amino-N,N-dimethyl-4-(1-phenylethoxy)benzamide
CID 82993190
3-amino-N,N-dimethyl-4-(4-methylpentan-2-yloxy)benzamide
CID 82993187

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide (CID 82992737) is 3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Oc2cccc(F)c2F)c(N)c1.
What is the InChIKey of 3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide?
The InChIKey is VLKPGIPBHUTCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-19(2)15(20)9-6-7-12(11(18)8-9)21-13-5-3-4-10(16)14(13)17/h3-8H,18H2,1-2H3.
What are the key properties of 3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide?
3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide has a molecular weight of 292.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide is sourced from PubChem (CID 82992737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).