3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide

C12H17F2N3O — CID 79772967

IUPAC3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide
SMILESCCN(C)CCNC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C12H17F2N3O/c1-3-17(2)7-6-16-12(18)10-8(13)4-5-9(15)11(10)14/h4-5H,3,6-7,15H2,1-2H3,(H,16,18)
InChIKeyZEGZNTJWUXHUSG-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.23
Rot. Bonds5

About 3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide

3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide (PubChem CID 79772967) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide
PubChem CID79772967
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide
SMILESCCN(C)CCNC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C12H17F2N3O/c1-3-17(2)7-6-16-12(18)10-8(13)4-5-9(15)11(10)14/h4-5H,3,6-7,15H2,1-2H3,(H,16,18)
InChIKeyZEGZNTJWUXHUSG-UHFFFAOYSA-N
XLogP1.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.23
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

3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79759421
2-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62636223
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-fluorobenzamide
CID 55090844
2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate
CID 83202374
3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide
CID 79773079
3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide
CID 107814586
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide
CID 107075159
3-amino-2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 79773667
3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79772907
3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098972

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide?
The IUPAC name of 3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide (CID 79772967) is 3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide.
What is the SMILES notation for 3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide?
The canonical SMILES for 3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide is CCN(C)CCNC(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide?
The InChIKey is ZEGZNTJWUXHUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-3-17(2)7-6-16-12(18)10-8(13)4-5-9(15)11(10)14/h4-5H,3,6-7,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide?
3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide has a molecular weight of 257.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide is sourced from PubChem (CID 79772967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).