3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide

C13H17F2N3O2 — CID 79773800

IUPAC3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C13H17F2N3O2/c1-7(2)5-18(6-10(17)19)13(20)11-8(14)3-4-9(16)12(11)15/h3-4,7H,5-6,16H2,1-2H3,(H2,17,19)
InChIKeyXIFTVZIQCAGPOM-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.13
Rot. Bonds5

About 3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide

3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide (PubChem CID 79773800) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide
PubChem CID79773800
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C13H17F2N3O2/c1-7(2)5-18(6-10(17)19)13(20)11-8(14)3-4-9(16)12(11)15/h3-4,7H,5-6,16H2,1-2H3,(H2,17,19)
InChIKeyXIFTVZIQCAGPOM-UHFFFAOYSA-N
XLogP1.13
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide (CID 79773800) is 3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide is CC(C)CN(CC(N)=O)C(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide?
The InChIKey is XIFTVZIQCAGPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-7(2)5-18(6-10(17)19)13(20)11-8(14)3-4-9(16)12(11)15/h3-4,7H,5-6,16H2,1-2H3,(H2,17,19).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide?
3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide has a molecular weight of 285.29 g/mol, XLogP of 1.13, 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-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 79773800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).