N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide

C14H10ClN3O5 — CID 135476483

IUPACN-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1O
InChIInChI=1S/C14H10ClN3O5/c15-9-5-8(13(20)11(6-9)18(22)23)7-16-17-14(21)10-3-1-2-4-12(10)19/h1-7,19-20H,(H,17,21)/b16-7+
InChIKeyZWGJOOSQDGPYTE-FRKPEAEDSA-N
MW335.70 g/mol
LogP2.42
Rot. Bonds4

About N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide

N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 135476483) has the molecular formula C14H10ClN3O5 and a molecular weight of 335.70 g/mol. Its IUPAC name is N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID135476483
Molecular FormulaC14H10ClN3O5
Molecular Weight335.70 g/mol
Exact Mass335.03
IUPAC NameN-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1O
InChIInChI=1S/C14H10ClN3O5/c15-9-5-8(13(20)11(6-9)18(22)23)7-16-17-14(21)10-3-1-2-4-12(10)19/h1-7,19-20H,(H,17,21)/b16-7+
InChIKeyZWGJOOSQDGPYTE-FRKPEAEDSA-N
XLogP2.42
TPSA125.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.70
LogP ≤ 52.42
H-Bond Donors ≤ 53
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

3-Nitro-benzoic acid (2-hydroxy-benzylidene)-hydrazide
CID 3094002
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
CID 135615039
O-acyl oxime isatin derivative, 41
CID 135643321
2-hydroxy-N'-(4-nitrobenzylidene)benzohydrazide
CID 6870740
2-hydroxy-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]benzohydrazide
CID 135641153
N-(3-{[(2E)-2-(5-chloro-2-hydroxy-3-nitrobenzylidene)hydrazino]carbonyl}phenyl)-2-methylbenzamide
CID 135472807
4-chloro-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]benzohydrazide
CID 135459082
N-[(E)-(3,5-dichloro-2-hydroxy-phenyl)methyleneamino]-4-nitro-benzamide
CID 135559907
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]-4-nitrobenzohydrazide
CID 135562304
Benzoic acid, m-nitro-, salicylidenehydrazide
CID 135408681
N'-(2-Chloro-5-nitrobenzylidene)-2,4-dihydroxybenzohydrazide
CID 5331510
N'-(4-Chloro-3-nitrobenzylidene)-2,4-dihydroxybenzohydrazide
CID 5331819

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide (CID 135476483) is N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide is O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1O.
What is the InChIKey of N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is ZWGJOOSQDGPYTE-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H10ClN3O5/c15-9-5-8(13(20)11(6-9)18(22)23)7-16-17-14(21)10-3-1-2-4-12(10)19/h1-7,19-20H,(H,17,21)/b16-7+.
What are the key properties of N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide?
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 335.70 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 135476483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).