5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide

C15H12ClN3O5 — CID 4134120

IUPAC5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NN=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H12ClN3O5/c1-24-14-5-2-10(16)7-12(14)15(21)18-17-8-9-6-11(19(22)23)3-4-13(9)20/h2-8,20H,1H3,(H,18,21)
InChIKeyWNJHHEHVLGZDDT-UHFFFAOYSA-N
MW349.73 g/mol
LogP2.73
Rot. Bonds5

About 5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide

5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 4134120) has the molecular formula C15H12ClN3O5 and a molecular weight of 349.73 g/mol. Its IUPAC name is 5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
PubChem CID4134120
Molecular FormulaC15H12ClN3O5
Molecular Weight349.73 g/mol
Exact Mass349.05
IUPAC Name5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NN=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H12ClN3O5/c1-24-14-5-2-10(16)7-12(14)15(21)18-17-8-9-6-11(19(22)23)3-4-13(9)20/h2-8,20H,1H3,(H,18,21)
InChIKeyWNJHHEHVLGZDDT-UHFFFAOYSA-N
XLogP2.73
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.73
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide
CID 126229875
5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 840452
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135827964
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 6113383
[2-[(E)-[[4-(2-methylpropanoylamino)benzoyl]hydrazinylidene]methyl]-4-nitrophenyl] 5-chloro-2-methoxybenzoate
CID 126229604
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide
CID 6737092
2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4686004
2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide
CID 4507805
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 135716312
5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136815793

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide (CID 4134120) is 5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NN=Cc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is WNJHHEHVLGZDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O5/c1-24-14-5-2-10(16)7-12(14)15(21)18-17-8-9-6-11(19(22)23)3-4-13(9)20/h2-8,20H,1H3,(H,18,21).
What are the key properties of 5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide?
5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide has a molecular weight of 349.73 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 4134120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).