N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide

C16H14ClN3O4 — CID 135554206

IUPACN-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1cccc(Cl)c1)c1ccc(O)cc1O
InChIInChI=1S/C16H14ClN3O4/c1-9(13-6-5-12(21)8-14(13)22)19-20-16(24)15(23)18-11-4-2-3-10(17)7-11/h2-8,21-22H,1H3,(H,18,23)(H,20,24)/b19-9+
InChIKeyIZAMFRRNNQIZTG-DJKKODMXSA-N
MW347.76 g/mol
LogP2.23
Rot. Bonds3

About N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide

N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide (PubChem CID 135554206) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide
PubChem CID135554206
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC NameN-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1cccc(Cl)c1)c1ccc(O)cc1O
InChIInChI=1S/C16H14ClN3O4/c1-9(13-6-5-12(21)8-14(13)22)19-20-16(24)15(23)18-11-4-2-3-10(17)7-11/h2-8,21-22H,1H3,(H,18,23)(H,20,24)/b19-9+
InChIKeyIZAMFRRNNQIZTG-DJKKODMXSA-N
XLogP2.23
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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'}

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Related Compounds

N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide
CID 4249349
1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135643114
N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4072889
N-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide
CID 135833133
2,4-dichloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 135688205
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide
CID 3626855
N-(3-chlorophenyl)-2,4-dihydroxybenzenecarbothioamide
CID 135496307
N-(3-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]oxamide
CID 4245956
N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136884193
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
N-(3-chlorophenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide
CID 94848465

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide (CID 135554206) is N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide is C/C(=N\NC(=O)C(=O)Nc1cccc(Cl)c1)c1ccc(O)cc1O.
What is the InChIKey of N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide?
The InChIKey is IZAMFRRNNQIZTG-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-9(13-6-5-12(21)8-14(13)22)19-20-16(24)15(23)18-11-4-2-3-10(17)7-11/h2-8,21-22H,1H3,(H,18,23)(H,20,24)/b19-9+.
What are the key properties of N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide?
N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide has a molecular weight of 347.76 g/mol, XLogP of 2.23, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide is sourced from PubChem (CID 135554206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).