N'-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide

C15H14ClN3O5 — CID 135628660

IUPACN'-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1O
InChIInChI=1S/C15H14ClN3O5/c1-23-12-6-9(5-11(16)13(12)20)7-18-19-15(22)14(21)17-8-10-3-2-4-24-10/h2-7,20H,8H2,1H3,(H,17,21)(H,19,22)/b18-7+
InChIKeyTUWWZUOABQZSJU-CNHKJKLMSA-N
MW351.75 g/mol
LogP1.41
Rot. Bonds5

About N'-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide

N'-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide (PubChem CID 135628660) has the molecular formula C15H14ClN3O5 and a molecular weight of 351.75 g/mol. Its IUPAC name is N'-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
PubChem CID135628660
Molecular FormulaC15H14ClN3O5
Molecular Weight351.75 g/mol
Exact Mass351.06
IUPAC NameN'-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1O
InChIInChI=1S/C15H14ClN3O5/c1-23-12-6-9(5-11(16)13(12)20)7-18-19-15(22)14(21)17-8-10-3-2-4-24-10/h2-7,20H,8H2,1H3,(H,17,21)(H,19,22)/b18-7+
InChIKeyTUWWZUOABQZSJU-CNHKJKLMSA-N
XLogP1.41
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

2-[(2E)-2-(3-chloro-4-hydroxy-5-methoxybenzylidene)hydrazinyl]-2-oxo-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 135628659
(E)-N-(2-(2-(2-hydroxy-3-methoxybenzylidene)hydrazinyl)-2-oxoethyl)furan-2-carboxamide
CID 135648145
N-(2-furylmethyl)-2-[2-(2-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxoacetamide
CID 135501755
N-(2-furylmethyl)-2-[2-(4-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxoacetamide
CID 135425010
N-{2-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxoethyl}-2-furamide
CID 135439738
3-Chloro-N-(2-(2-(3-ethoxy-4-hydroxybenzylidene)hydrazino)-2-oxoethyl)benzamide
CID 135822065
N-[2-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-2-oxoethyl]-2-furancarboxamide
CID 1675732
N-(2-furanylmethyl)-2-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-2-oxoacetamide
CID 2251003
N-[2-[(2E)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 135683475
2-(Furfurylureido)acetic acid N2-(4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135491247
N-[3-[2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 4044561
N-[2-[2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 4212176

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide (CID 135628660) is N'-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide is COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1O.
What is the InChIKey of N'-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is TUWWZUOABQZSJU-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H14ClN3O5/c1-23-12-6-9(5-11(16)13(12)20)7-18-19-15(22)14(21)17-8-10-3-2-4-24-10/h2-7,20H,8H2,1H3,(H,17,21)(H,19,22)/b18-7+.
What are the key properties of N'-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide?
N'-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 351.75 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 135628660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).