4-chloro-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide

C14H10ClN3O4 — CID 135459082

IUPAC4-chloro-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O4/c15-11-3-1-9(2-4-11)14(20)17-16-8-10-7-12(18(21)22)5-6-13(10)19/h1-8,19H,(H,17,20)/b16-8+
InChIKeyQJYGSSHUDMQGSV-LZYBPNLTSA-N
MW319.70 g/mol
LogP2.72
Rot. Bonds4

About 4-chloro-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide

4-chloro-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide (PubChem CID 135459082) has the molecular formula C14H10ClN3O4 and a molecular weight of 319.70 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
PubChem CID135459082
Molecular FormulaC14H10ClN3O4
Molecular Weight319.70 g/mol
Exact Mass319.04
IUPAC Name4-chloro-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O4/c15-11-3-1-9(2-4-11)14(20)17-16-8-10-7-12(18(21)22)5-6-13(10)19/h1-8,19H,(H,17,20)/b16-8+
InChIKeyQJYGSSHUDMQGSV-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
Benzaldehyde, 2-hydroxy-5-nitro-, 2-chlorophenylhydrazone
CID 135439761
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]naphthalene-1-carbohydrazide
CID 135403159
N'-(2-hydroxy-5-nitrobenzylidene)-4-nitrobenzohydrazide
CID 86261394
Benzoic acid, m-nitro-, salicylidenehydrazide
CID 135408681
N'-{2-hydroxy-5-nitrobenzylidene}cyclohexanecarbohydrazide
CID 135401405
3-Chloro-N-(3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 135616997
1-(4-Chloro-phenyl)-3-(2-hydroxy-5-nitro-phenyl)-propenone
CID 5350920
2-hydroxy-N'-(4-nitrobenzylidene)benzohydrazide
CID 6870740
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 3336159
3,4-dihydroxy-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]benzohydrazide
CID 135403140
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
CID 135428733

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide (CID 135459082) is 4-chloro-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The InChIKey is QJYGSSHUDMQGSV-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H10ClN3O4/c15-11-3-1-9(2-4-11)14(20)17-16-8-10-7-12(18(21)22)5-6-13(10)19/h1-8,19H,(H,17,20)/b16-8+.
What are the key properties of 4-chloro-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
4-chloro-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide 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 4-chloro-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 135459082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).