N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide

C13H16FN3O3 — CID 108528841

IUPACN'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide
SMILESNCCCN(C=O)C(=O)C(=O)NCc1ccccc1F
InChIInChI=1S/C13H16FN3O3/c14-11-5-2-1-4-10(11)8-16-12(19)13(20)17(9-18)7-3-6-15/h1-2,4-5,9H,3,6-8,15H2,(H,16,19)
InChIKeyZGSGLWMZORFCDJ-UHFFFAOYSA-N
MW281.29 g/mol
LogP-0.22
Rot. Bonds6

About N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide

N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide (PubChem CID 108528841) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide
PubChem CID108528841
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC NameN'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide
SMILESNCCCN(C=O)C(=O)C(=O)NCc1ccccc1F
InChIInChI=1S/C13H16FN3O3/c14-11-5-2-1-4-10(11)8-16-12(19)13(20)17(9-18)7-3-6-15/h1-2,4-5,9H,3,6-8,15H2,(H,16,19)
InChIKeyZGSGLWMZORFCDJ-UHFFFAOYSA-N
XLogP-0.22
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 5-0.22
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-(2,6-difluorophenyl)-N'-formyloxamide
CID 108522067
N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide
CID 108507762
N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide
CID 108528538
N'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide
CID 108512615
N-[(2-fluorophenyl)methyl]-N',N'-bis(2-hydroxyethyl)oxamide
CID 108509953
1-(3-aminopropyl)-3-[(2-fluorophenyl)methyl]urea
CID 117235553
N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524813
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide
CID 108528899
N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524698
N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide
CID 108899749
N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984905

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide?
The IUPAC name of N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide (CID 108528841) is N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide.
What is the SMILES notation for N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide?
The canonical SMILES for N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide is NCCCN(C=O)C(=O)C(=O)NCc1ccccc1F.
What is the InChIKey of N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide?
The InChIKey is ZGSGLWMZORFCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3/c14-11-5-2-1-4-10(11)8-16-12(19)13(20)17(9-18)7-3-6-15/h1-2,4-5,9H,3,6-8,15H2,(H,16,19).
What are the key properties of N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide?
N'-(3-aminopropyl)-N-[(2-fluorophenyl)methyl]-N'-formyloxamide has a molecular weight of 281.29 g/mol, XLogP of -0.22, 6 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-fluorophenyl)methyl]-N'-formyloxamide is sourced from PubChem (CID 108528841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).