N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide

C15H12ClN3O4 — CID 6869315

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O4/c16-12-3-1-11(2-4-12)9-17-18-15(20)10-23-14-7-5-13(6-8-14)19(21)22/h1-9H,10H2,(H,18,20)/b17-9+
InChIKeyMHQQZXSDVZZKKC-RQZCQDPDSA-N
MW333.73 g/mol
LogP2.78
Rot. Bonds6

About N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide

N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide (PubChem CID 6869315) has the molecular formula C15H12ClN3O4 and a molecular weight of 333.73 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
PubChem CID6869315
Molecular FormulaC15H12ClN3O4
Molecular Weight333.73 g/mol
Exact Mass333.05
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O4/c16-12-3-1-11(2-4-12)9-17-18-15(20)10-23-14-7-5-13(6-8-14)19(21)22/h1-9H,10H2,(H,18,20)/b17-9+
InChIKeyMHQQZXSDVZZKKC-RQZCQDPDSA-N
XLogP2.78
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

(E)-4-(4-chloro-2-methylphenoxy)-N'-(3-nitrobenzylidene)butanehydrazide
CID 6870626
4-(2,4-dichlorophenoxy)-N'-[(1E)-(3-nitrophenyl)methylene]butanohydrazide
CID 9682140
N'-[(E)-(4-hydroxyphenyl)methylidene]-2-(2-nitrophenoxy)acetohydrazide
CID 135401376
N'-(4-Nitrobenzylidene)-2-phenoxyacetohydrazide
CID 9556570
2-(2-Methoxyphenoxy)-N'-(3-nitrobenzylidene)acetohydrazide
CID 6870858
2-(4-methyl-2-nitrophenoxy)-N'-[(E)-phenylmethylidene]acetohydrazide
CID 9690221
(2E)-2-{2-[(4-chlorobenzyl)oxy]-5-nitrobenzylidene}hydrazinecarboximidamide
CID 16728630
2-(4-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135688386
N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 136167962
N'-[(E)-(2-fluoro-5-nitrophenyl)methylidene]-2-(4-methylphenoxy)acetohydrazide
CID 9580054
N'-(4-nitrobenzylidene)-2-(4-nitrophenoxy)acetohydrazide
CID 586766
2-(4-(Benzyloxy)phenoxy)-N'-(3-nitrobenzylidene)acetohydrazide
CID 5335285

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide (CID 6869315) is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide?
The InChIKey is MHQQZXSDVZZKKC-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H12ClN3O4/c16-12-3-1-11(2-4-12)9-17-18-15(20)10-23-14-7-5-13(6-8-14)19(21)22/h1-9H,10H2,(H,18,20)/b17-9+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide has a molecular weight of 333.73 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 6869315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).