3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide

C12H15F2N3O2 — CID 107120734

IUPAC3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C12H15F2N3O2/c1-3-16-10(18)6-17(2)12(19)8-4-7(13)5-9(15)11(8)14/h4-5H,3,6,15H2,1-2H3,(H,16,18)
InChIKeyFHPXCDCTXKUYBF-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.76
Rot. Bonds4

About 3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide

3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide (PubChem CID 107120734) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
PubChem CID107120734
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C12H15F2N3O2/c1-3-16-10(18)6-17(2)12(19)8-4-7(13)5-9(15)11(8)14/h4-5H,3,6,15H2,1-2H3,(H,16,18)
InChIKeyFHPXCDCTXKUYBF-UHFFFAOYSA-N
XLogP0.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.76
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-2,5-difluoro-N-methyl-N-pentylbenzamide
CID 107120492
3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide
CID 107121456
3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107121238
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-fluoro-N,4-dimethylbenzamide
CID 61116787
5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61114708
4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115647
4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 60956172
2-amino-4-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 63110244
3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide
CID 107120608
3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107120558
3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 107120541

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide?
The IUPAC name of 3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide (CID 107120734) is 3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide?
The canonical SMILES for 3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide is CCNC(=O)CN(C)C(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide?
The InChIKey is FHPXCDCTXKUYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c1-3-16-10(18)6-17(2)12(19)8-4-7(13)5-9(15)11(8)14/h4-5H,3,6,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide?
3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide has a molecular weight of 271.27 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide is sourced from PubChem (CID 107120734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).