N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide

C14H10ClN3O4 — CID 135562304

IUPACN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C/c1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10ClN3O4/c15-11-3-6-13(19)10(7-11)8-16-17-14(20)9-1-4-12(5-2-9)18(21)22/h1-8,19H,(H,17,20)/b16-8+
InChIKeyCUVHYTYKZXTVCC-LZYBPNLTSA-N
MW319.70 g/mol
LogP2.72
Rot. Bonds4

About N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide

N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 135562304) has the molecular formula C14H10ClN3O4 and a molecular weight of 319.70 g/mol. Its IUPAC name is N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
PubChem CID135562304
Molecular FormulaC14H10ClN3O4
Molecular Weight319.70 g/mol
Exact Mass319.04
IUPAC NameN-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C/c1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10ClN3O4/c15-11-3-6-13(19)10(7-11)8-16-17-14(20)9-1-4-12(5-2-9)18(21)22/h1-8,19H,(H,17,20)/b16-8+
InChIKeyCUVHYTYKZXTVCC-LZYBPNLTSA-N
XLogP2.72
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.70
LogP ≤ 52.72
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

3-Nitro-benzoic acid (2-hydroxy-benzylidene)-hydrazide
CID 3094002
4-Aminobenzoic (2-hydroxybenzylidene)hydrazide
CID 135408682
N'-(2-hydroxy-5-nitrobenzylidene)-4-nitrobenzohydrazide
CID 86261394
N'-(2,4-Dihydroxybenzylidene)-4-nitrobenzohydrazide
CID 135421778
3-Chloro-N-(3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 135616997
2-hydroxy-N'-(4-nitrobenzylidene)benzohydrazide
CID 6870740
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
CID 135428733
N'-(2-hydroxybenzylidene)-4-nitrobenzohydrazide
CID 135400288
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 135520574
N'-(4-hydroxybenzylidene)-4-nitrobenzohydrazide
CID 135458762
N'-(5-Bromo-2-hydroxybenzylidene)-4-nitrobenzohydrazide
CID 135604310
N''-(5-tert-butyl-2-hydroxybenzylidene)-4-nitrobenzohydrazide
CID 136094769

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide (CID 135562304) is N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide is O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is CUVHYTYKZXTVCC-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H10ClN3O4/c15-11-3-6-13(19)10(7-11)8-16-17-14(20)9-1-4-12(5-2-9)18(21)22/h1-8,19H,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide?
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzamide has a molecular weight of 319.70 g/mol, XLogP of 2.72, 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-hydroxyphenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 135562304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).