N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide

C12H13F2N3O3 — CID 108522067

IUPACN'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide
SMILESNCCCN(C=O)C(=O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C12H13F2N3O3/c13-8-3-1-4-9(14)10(8)16-11(19)12(20)17(7-18)6-2-5-15/h1,3-4,7H,2,5-6,15H2,(H,16,19)
InChIKeyDNBBQBQSSQFHGF-UHFFFAOYSA-N
MW285.25 g/mol
LogP0.24
Rot. Bonds5

About N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide

N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide (PubChem CID 108522067) has the molecular formula C12H13F2N3O3 and a molecular weight of 285.25 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide
PubChem CID108522067
Molecular FormulaC12H13F2N3O3
Molecular Weight285.25 g/mol
Exact Mass285.09
IUPAC NameN'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide
SMILESNCCCN(C=O)C(=O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C12H13F2N3O3/c13-8-3-1-4-9(14)10(8)16-11(19)12(20)17(7-18)6-2-5-15/h1,3-4,7H,2,5-6,15H2,(H,16,19)
InChIKeyDNBBQBQSSQFHGF-UHFFFAOYSA-N
XLogP0.24
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide
CID 108528841
N'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide
CID 108512615
N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide
CID 108528767
N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide
CID 108528899
N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide
CID 108515462
N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide
CID 108507762
N'-(2,6-difluorophenyl)-N-methyloxamide
CID 47224850
N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide
CID 108867513
2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide
CID 66217561
N-(2,6-difluorophenyl)-N'-methoxyoxamide
CID 99636399
N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108518572
5-amino-N-(2-bromo-6-fluorophenyl)pentanamide
CID 107599895

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide?
The IUPAC name of N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide (CID 108522067) is N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide.
What is the SMILES notation for N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide?
The canonical SMILES for N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide is NCCCN(C=O)C(=O)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide?
The InChIKey is DNBBQBQSSQFHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O3/c13-8-3-1-4-9(14)10(8)16-11(19)12(20)17(7-18)6-2-5-15/h1,3-4,7H,2,5-6,15H2,(H,16,19).
What are the key properties of N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide?
N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide has a molecular weight of 285.25 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide is sourced from PubChem (CID 108522067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).