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

C14H9ClN4O6 — CID 135614412

IUPACN-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-nitrobenzamide
SMILESO=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H9ClN4O6/c15-9-5-8(13(20)12(6-9)19(24)25)7-16-17-14(21)10-3-1-2-4-11(10)18(22)23/h1-7,20H,(H,17,21)/b16-7+
InChIKeyPGHVYNJGHWNTCM-FRKPEAEDSA-N
MW364.70 g/mol
LogP2.63
Rot. Bonds5

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

N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-nitrobenzamide (PubChem CID 135614412) has the molecular formula C14H9ClN4O6 and a molecular weight of 364.70 g/mol. Its IUPAC name is N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-nitrobenzamide
PubChem CID135614412
Molecular FormulaC14H9ClN4O6
Molecular Weight364.70 g/mol
Exact Mass364.02
IUPAC NameN-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-nitrobenzamide
SMILESO=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H9ClN4O6/c15-9-5-8(13(20)12(6-9)19(24)25)7-16-17-14(21)10-3-1-2-4-11(10)18(22)23/h1-7,20H,(H,17,21)/b16-7+
InChIKeyPGHVYNJGHWNTCM-FRKPEAEDSA-N
XLogP2.63
TPSA147.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.70
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-nitrobenzamide?
The IUPAC name of N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-nitrobenzamide (CID 135614412) is N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-nitrobenzamide.
What is the SMILES notation for N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-nitrobenzamide?
The canonical SMILES for N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-nitrobenzamide is O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-nitrobenzamide?
The InChIKey is PGHVYNJGHWNTCM-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H9ClN4O6/c15-9-5-8(13(20)12(6-9)19(24)25)7-16-17-14(21)10-3-1-2-4-11(10)18(22)23/h1-7,20H,(H,17,21)/b16-7+.
What are the key properties of N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-nitrobenzamide?
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-nitrobenzamide has a molecular weight of 364.70 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-nitrobenzamide is sourced from PubChem (CID 135614412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).