N-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide

C16H13ClFN3O3 — CID 135833133

IUPACN-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1O
InChIInChI=1S/C16H13ClFN3O3/c1-9(11-4-2-3-5-14(11)22)20-21-16(24)15(23)19-10-6-7-13(18)12(17)8-10/h2-8,22H,1H3,(H,19,23)(H,21,24)/b20-9+
InChIKeyVZIMIPOHOBQTFS-AWQFTUOYSA-N
MW349.75 g/mol
LogP2.66
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide

N-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide (PubChem CID 135833133) has the molecular formula C16H13ClFN3O3 and a molecular weight of 349.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide
PubChem CID135833133
Molecular FormulaC16H13ClFN3O3
Molecular Weight349.75 g/mol
Exact Mass349.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1O
InChIInChI=1S/C16H13ClFN3O3/c1-9(11-4-2-3-5-14(11)22)20-21-16(24)15(23)19-10-6-7-13(18)12(17)8-10/h2-8,22H,1H3,(H,19,23)(H,21,24)/b20-9+
InChIKeyVZIMIPOHOBQTFS-AWQFTUOYSA-N
XLogP2.66
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.75
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
CID 3527401
N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide
CID 135554206
methyl 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 108512480
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
[4-[(E)-N-[[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 19660760
N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide
CID 4249349
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135722639
2-(4-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135531709
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
N-(3-chloro-4-fluorophenyl)-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 19658573

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide (CID 135833133) is N-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide is C/C(=N\NC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide?
The InChIKey is VZIMIPOHOBQTFS-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O3/c1-9(11-4-2-3-5-14(11)22)20-21-16(24)15(23)19-10-6-7-13(18)12(17)8-10/h2-8,22H,1H3,(H,19,23)(H,21,24)/b20-9+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide?
N-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide has a molecular weight of 349.75 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide is sourced from PubChem (CID 135833133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).