2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide

C15H12ClN3O4 — CID 958366

IUPAC2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccccc1Cl)NN=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12ClN3O4/c16-12-6-2-4-8-14(12)23-10-15(20)18-17-9-11-5-1-3-7-13(11)19(21)22/h1-9H,10H2,(H,18,20)
InChIKeyWJODONYFTXMPLS-UHFFFAOYSA-N
MW333.73 g/mol
LogP2.78
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide

2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide (PubChem CID 958366) has the molecular formula C15H12ClN3O4 and a molecular weight of 333.73 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
PubChem CID958366
Molecular FormulaC15H12ClN3O4
Molecular Weight333.73 g/mol
Exact Mass333.05
IUPAC Name2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccccc1Cl)NN=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12ClN3O4/c16-12-6-2-4-8-14(12)23-10-15(20)18-17-9-11-5-1-3-7-13(11)19(21)22/h1-9H,10H2,(H,18,20)
InChIKeyWJODONYFTXMPLS-UHFFFAOYSA-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

2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966530
2-(2-ethoxyphenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6044087
2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 19182341
2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 4925945
2-(2-cyanophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 9467550
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
2-(4-chloro-2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 766399
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 6899811
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1381839
2-(3-chlorophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 7039264
2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104421
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332490

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide (CID 958366) is 2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide is O=C(COc1ccccc1Cl)NN=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide?
The InChIKey is WJODONYFTXMPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4/c16-12-6-2-4-8-14(12)23-10-15(20)18-17-9-11-5-1-3-7-13(11)19(21)22/h1-9H,10H2,(H,18,20).
What are the key properties of 2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide?
2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]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 2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 958366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).