N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide

C11H12FN3O2 — CID 7612689

IUPACN'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide
SMILESCC/C(=N/NC(=O)C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FN3O2/c1-2-9(14-15-11(17)10(13)16)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H2,13,16)(H,15,17)/b14-9-
InChIKeyQHKMFURAEQCFLP-ZROIWOOFSA-N
MW237.23 g/mol
LogP0.54
Rot. Bonds3

About N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide

N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide (PubChem CID 7612689) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide
PubChem CID7612689
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC NameN'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide
SMILESCC/C(=N/NC(=O)C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FN3O2/c1-2-9(14-15-11(17)10(13)16)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H2,13,16)(H,15,17)/b14-9-
InChIKeyQHKMFURAEQCFLP-ZROIWOOFSA-N
XLogP0.54
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide
CID 4645851
N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide
CID 6380385
1-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-methylthiourea
CID 8972850
2-(4-fluorophenyl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 7428677
N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide
CID 29223067
N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide
CID 16555755
N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide
CID 7534633
1-(4-fluorophenyl)-N-methylpropan-1-imine
CID 142869606
N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide
CID 4181307
[1-(4-amino-3-methylphenyl)propylideneamino]urea
CID 130155098
3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4286726
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide?
The IUPAC name of N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide (CID 7612689) is N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide.
What is the SMILES notation for N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide?
The canonical SMILES for N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide is CC/C(=N/NC(=O)C(N)=O)c1ccc(F)cc1.
What is the InChIKey of N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide?
The InChIKey is QHKMFURAEQCFLP-ZROIWOOFSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-2-9(14-15-11(17)10(13)16)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H2,13,16)(H,15,17)/b14-9-.
What are the key properties of N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide?
N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide has a molecular weight of 237.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide is sourced from PubChem (CID 7612689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).