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

C14H9ClFN3O4 — CID 135458755

IUPACN-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-fluorobenzamide
SMILESO=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(F)c1
InChIInChI=1S/C14H9ClFN3O4/c15-10-4-9(13(20)12(6-10)19(22)23)7-17-18-14(21)8-2-1-3-11(16)5-8/h1-7,20H,(H,18,21)/b17-7+
InChIKeyILWVWOIDWDENPT-REZTVBANSA-N
MW337.69 g/mol
LogP2.86
Rot. Bonds4

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

N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-fluorobenzamide (PubChem CID 135458755) has the molecular formula C14H9ClFN3O4 and a molecular weight of 337.69 g/mol. Its IUPAC name is N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-fluorobenzamide
PubChem CID135458755
Molecular FormulaC14H9ClFN3O4
Molecular Weight337.69 g/mol
Exact Mass337.03
IUPAC NameN-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-fluorobenzamide
SMILESO=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(F)c1
InChIInChI=1S/C14H9ClFN3O4/c15-10-4-9(13(20)12(6-10)19(22)23)7-17-18-14(21)8-2-1-3-11(16)5-8/h1-7,20H,(H,18,21)/b17-7+
InChIKeyILWVWOIDWDENPT-REZTVBANSA-N
XLogP2.86
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.69
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
CID 135615039
O-acyl oxime isatin derivative, 41
CID 135643321
N-(3-{[(2E)-2-(5-chloro-2-hydroxy-3-nitrobenzylidene)hydrazino]carbonyl}phenyl)-2-methylbenzamide
CID 135472807
4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol
CID 135717234
4-chloro-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]benzohydrazide
CID 135459082
N'-(3,5-dichloro-2-hydroxybenzylidene)-2-nitrobenzohydrazide
CID 135495624
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
N-[(1E)-2-(5-chloro-2-hydroxy-3-nitrophenyl)-1-azavinyl](2Z)-3-[4-(dimethylami no)phenyl]-2-[(3-fluorophenyl)carbonylamino]prop-2-enamide
CID 136025067
4-fluoro-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]benzohydrazide
CID 135615447
N'-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylidene]benzohydrazide
CID 135554629
N'-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-2-hydroxybenzohydrazide
CID 135476483

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-fluorobenzamide?
The IUPAC name of N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-fluorobenzamide (CID 135458755) is N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-fluorobenzamide.
What is the SMILES notation for N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-fluorobenzamide?
The canonical SMILES for N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-fluorobenzamide is O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(F)c1.
What is the InChIKey of N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-fluorobenzamide?
The InChIKey is ILWVWOIDWDENPT-REZTVBANSA-N. The full InChI is InChI=1S/C14H9ClFN3O4/c15-10-4-9(13(20)12(6-10)19(22)23)7-17-18-14(21)8-2-1-3-11(16)5-8/h1-7,20H,(H,18,21)/b17-7+.
What are the key properties of N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-fluorobenzamide?
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-fluorobenzamide has a molecular weight of 337.69 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-3-fluorobenzamide is sourced from PubChem (CID 135458755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).