N-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide

C15H11FIN3O2 — CID 4570799

IUPACN-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1ccc(I)cc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H11FIN3O2/c16-11-2-1-3-13(8-11)19-14(21)15(22)20-18-9-10-4-6-12(17)7-5-10/h1-9H,(H,19,21)(H,20,22)
InChIKeyDFXKBBQXAQLLFQ-UHFFFAOYSA-N
MW411.17 g/mol
LogP2.52
Rot. Bonds3

About N-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide

N-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide (PubChem CID 4570799) has the molecular formula C15H11FIN3O2 and a molecular weight of 411.17 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide
PubChem CID4570799
Molecular FormulaC15H11FIN3O2
Molecular Weight411.17 g/mol
Exact Mass410.99
IUPAC NameN-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1ccc(I)cc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H11FIN3O2/c16-11-2-1-3-13(8-11)19-14(21)15(22)20-18-9-10-4-6-12(17)7-5-10/h1-9H,(H,19,21)(H,20,22)
InChIKeyDFXKBBQXAQLLFQ-UHFFFAOYSA-N
XLogP2.52
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.17
LogP ≤ 52.52
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide
CID 4218592
N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5189069
N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 2063705
N-(3-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]oxamide
CID 4245956
N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136884193
N'-(benzylideneamino)-N-(3-methylphenyl)oxamide
CID 4143039
N-(4-fluorophenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
CID 6019949
4-[(Z)-[[2-(3-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 6042050
N-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide
CID 56695207
N-(4-fluorophenyl)-N'-[(Z)-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260706
N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide
CID 94844116
N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4187128

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide?
The IUPAC name of N-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide (CID 4570799) is N-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide is O=C(NN=Cc1ccc(I)cc1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide?
The InChIKey is DFXKBBQXAQLLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FIN3O2/c16-11-2-1-3-13(8-11)19-14(21)15(22)20-18-9-10-4-6-12(17)7-5-10/h1-9H,(H,19,21)(H,20,22).
What are the key properties of N-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide?
N-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide has a molecular weight of 411.17 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide is sourced from PubChem (CID 4570799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).