N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide

C10H10FN3O2 — CID 94844116

IUPACN'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C\c1ccc(F)cc1
InChIInChI=1S/C10H10FN3O2/c1-12-9(15)10(16)14-13-6-7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,15)(H,14,16)/b13-6-
InChIKeyNYGNCKUAVCOXGA-MLPAPPSSSA-N
MW223.21 g/mol
LogP0.02
Rot. Bonds2

About N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide

N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide (PubChem CID 94844116) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide
PubChem CID94844116
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC NameN'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C\c1ccc(F)cc1
InChIInChI=1S/C10H10FN3O2/c1-12-9(15)10(16)14-13-6-7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,15)(H,14,16)/b13-6-
InChIKeyNYGNCKUAVCOXGA-MLPAPPSSSA-N
XLogP0.02
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.02
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'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135821314
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
CID 4106726
1-[(Z)-(4-fluorophenyl)methylideneamino]-3-[(4-fluorophenyl)methylideneamino]urea
CID 5383880
1-[(4-fluorophenyl)methylideneamino]-3-methylthiourea
CID 3426780
N'-[(4-fluorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3102438
N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 4642668
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
N-(4-fluorophenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
CID 6019949
N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 2063705
N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4187128
N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 3105349

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide?
The IUPAC name of N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide (CID 94844116) is N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide.
What is the SMILES notation for N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide?
The canonical SMILES for N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide is CNC(=O)C(=O)N/N=C\c1ccc(F)cc1.
What is the InChIKey of N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide?
The InChIKey is NYGNCKUAVCOXGA-MLPAPPSSSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-12-9(15)10(16)14-13-6-7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,15)(H,14,16)/b13-6-.
What are the key properties of N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide?
N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide has a molecular weight of 223.21 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide is sourced from PubChem (CID 94844116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).