N,N'-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]oxamide

C16H12Cl2N4O4 — CID 135408655

IUPACN,N'-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1cc(Cl)ccc1O)C(=O)N/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C16H12Cl2N4O4/c17-11-1-3-13(23)9(5-11)7-19-21-15(25)16(26)22-20-8-10-6-12(18)2-4-14(10)24/h1-8,23-24H,(H,21,25)(H,22,26)/b19-7+,20-8+
InChIKeyINAJEDJILHVFMM-OKXCLTPOSA-N
MW395.20 g/mol
LogP2.01
Rot. Bonds4

About N,N'-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]oxamide

N,N'-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135408655) has the molecular formula C16H12Cl2N4O4 and a molecular weight of 395.20 g/mol. Its IUPAC name is N,N'-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135408655
Molecular FormulaC16H12Cl2N4O4
Molecular Weight395.20 g/mol
Exact Mass394.02
IUPAC NameN,N'-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1cc(Cl)ccc1O)C(=O)N/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C16H12Cl2N4O4/c17-11-1-3-13(23)9(5-11)7-19-21-15(25)16(26)22-20-8-10-6-12(18)2-4-14(10)24/h1-8,23-24H,(H,21,25)(H,22,26)/b19-7+,20-8+
InChIKeyINAJEDJILHVFMM-OKXCLTPOSA-N
XLogP2.01
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N,N'-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]oxamide (CID 135408655) is N,N'-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]oxamide is O=C(N/N=C/c1cc(Cl)ccc1O)C(=O)N/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of N,N'-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is INAJEDJILHVFMM-OKXCLTPOSA-N. The full InChI is InChI=1S/C16H12Cl2N4O4/c17-11-1-3-13(23)9(5-11)7-19-21-15(25)16(26)22-20-8-10-6-12(18)2-4-14(10)24/h1-8,23-24H,(H,21,25)(H,22,26)/b19-7+,20-8+.
What are the key properties of N,N'-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]oxamide?
N,N'-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 395.20 g/mol, XLogP of 2.01, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135408655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).