N'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide

C12H14FN3O3 — CID 108512615

IUPACN'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide
SMILESNCCCN(C=O)C(=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H14FN3O3/c13-9-2-4-10(5-3-9)15-11(18)12(19)16(8-17)7-1-6-14/h2-5,8H,1,6-7,14H2,(H,15,18)
InChIKeyQWEMPMHCJYQADB-UHFFFAOYSA-N
MW267.26 g/mol
LogP0.10
Rot. Bonds5

About N'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide

N'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide (PubChem CID 108512615) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide
PubChem CID108512615
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC NameN'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide
SMILESNCCCN(C=O)C(=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H14FN3O3/c13-9-2-4-10(5-3-9)15-11(18)12(19)16(8-17)7-1-6-14/h2-5,8H,1,6-7,14H2,(H,15,18)
InChIKeyQWEMPMHCJYQADB-UHFFFAOYSA-N
XLogP0.10
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.10
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'-formyl-N-(4-iodophenyl)oxamide
CID 108528869
ethyl 4-[[2-[3-aminopropyl(formyl)amino]-2-oxoacetyl]amino]benzoate
CID 108500130
N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide
CID 108528767
(Z)-3-[3-aminopropyl(formyl)amino]-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 108851972
N'-(3-aminopropyl)-N-(2,4-dimethylphenyl)-N'-formyloxamide
CID 108515462
N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide
CID 108887986
2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide
CID 82180278
N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide
CID 108512592
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370
2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide
CID 43136261
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
1-(3-aminopropyl)-1-(4-fluorophenyl)urea
CID 43136215

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide?
The IUPAC name of N'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide (CID 108512615) is N'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide.
What is the SMILES notation for N'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide?
The canonical SMILES for N'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide is NCCCN(C=O)C(=O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide?
The InChIKey is QWEMPMHCJYQADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-9-2-4-10(5-3-9)15-11(18)12(19)16(8-17)7-1-6-14/h2-5,8H,1,6-7,14H2,(H,15,18).
What are the key properties of N'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide?
N'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide has a molecular weight of 267.26 g/mol, XLogP of 0.10, 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-(4-fluorophenyl)-N'-formyloxamide is sourced from PubChem (CID 108512615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).