3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide

C11H13F2N3O2 — CID 79772944

IUPAC3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(C)C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C11H13F2N3O2/c1-15-8(17)5-16(2)11(18)9-6(12)3-4-7(14)10(9)13/h3-4H,5,14H2,1-2H3,(H,15,17)
InChIKeyCENNSTRWUDDHNT-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.37
Rot. Bonds3

About 3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide

3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 79772944) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID79772944
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Name3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(C)C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C11H13F2N3O2/c1-15-8(17)5-16(2)11(18)9-6(12)3-4-7(14)10(9)13/h3-4H,5,14H2,1-2H3,(H,15,17)
InChIKeyCENNSTRWUDDHNT-UHFFFAOYSA-N
XLogP0.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3-amino-2,6-difluorobenzoyl)-methylamino]acetate
CID 79773010
3-amino-2,6-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 79759555
2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374604
3-amino-N-(cyclopentylmethyl)-2,6-difluoro-N-methylbenzamide
CID 79773242
3-amino-2,6-difluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 79759533
4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374613
3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide
CID 79773079
4-fluoro-2-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 113304528
3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79772967
3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide
CID 79773800
3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide
CID 79758297
3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 112574764

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 79772944) is 3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CN(C)C(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is CENNSTRWUDDHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-15-8(17)5-16(2)11(18)9-6(12)3-4-7(14)10(9)13/h3-4H,5,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 257.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 79772944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).