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

C15H10Cl2FN3O2 — CID 2063705

IUPACN-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2FN3O2/c16-12-6-5-11(7-13(12)17)20-14(22)15(23)21-19-8-9-1-3-10(18)4-2-9/h1-8H,(H,20,22)(H,21,23)
InChIKeyPHGAJLQLMYRFAK-UHFFFAOYSA-N
MW354.17 g/mol
LogP3.22
Rot. Bonds3

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

N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide (PubChem CID 2063705) has the molecular formula C15H10Cl2FN3O2 and a molecular weight of 354.17 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
PubChem CID2063705
Molecular FormulaC15H10Cl2FN3O2
Molecular Weight354.17 g/mol
Exact Mass353.01
IUPAC NameN-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2FN3O2/c16-12-6-5-11(7-13(12)17)20-14(22)15(23)21-19-8-9-1-3-10(18)4-2-9/h1-8H,(H,20,22)(H,21,23)
InChIKeyPHGAJLQLMYRFAK-UHFFFAOYSA-N
XLogP3.22
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 53.22
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-(3-chloro-4-fluorophenyl)-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 19658573
N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 6247065
N-(4-fluorophenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
CID 6019949
N-(3,4-dichlorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 19658700
N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 19660151
N'-[(E)-(4-acetamidophenyl)methylideneamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 25251109
[4-[(E)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51060935
N'-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 3856543
N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide
CID 94844116
N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 19660391
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126008645
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 8931675

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide (CID 2063705) is N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide is O=C(NN=Cc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide?
The InChIKey is PHGAJLQLMYRFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN3O2/c16-12-6-5-11(7-13(12)17)20-14(22)15(23)21-19-8-9-1-3-10(18)4-2-9/h1-8H,(H,20,22)(H,21,23).
What are the key properties of N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide?
N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide has a molecular weight of 354.17 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 2063705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).