2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide

C15H12ClN3O4 — CID 7039861

IUPAC2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1cccc(Cl)c1)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12ClN3O4/c16-12-2-1-3-14(8-12)23-10-15(20)18-17-9-11-4-6-13(7-5-11)19(21)22/h1-9H,10H2,(H,18,20)
InChIKeyDXGDEDBBNZUDFI-UHFFFAOYSA-N
MW333.73 g/mol
LogP2.78
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide

2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide (PubChem CID 7039861) has the molecular formula C15H12ClN3O4 and a molecular weight of 333.73 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
PubChem CID7039861
Molecular FormulaC15H12ClN3O4
Molecular Weight333.73 g/mol
Exact Mass333.05
IUPAC Name2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1cccc(Cl)c1)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12ClN3O4/c16-12-2-1-3-14(8-12)23-10-15(20)18-17-9-11-4-6-13(7-5-11)19(21)22/h1-9H,10H2,(H,18,20)
InChIKeyDXGDEDBBNZUDFI-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

[3-[[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 1246148
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 96881501
[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 4152230
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
[4-[[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-nitrobenzoate
CID 1246236
[4-[(E)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-nitrobenzoate
CID 6322341
2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 774635
2-(3-chlorophenoxy)-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 19165680
2-(3-chlorophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 7039264
2-(3-chlorophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5401693
2-(4-chlorophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6870633
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide (CID 7039861) is 2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide is O=C(COc1cccc(Cl)c1)NN=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide?
The InChIKey is DXGDEDBBNZUDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4/c16-12-2-1-3-14(8-12)23-10-15(20)18-17-9-11-4-6-13(7-5-11)19(21)22/h1-9H,10H2,(H,18,20).
What are the key properties of 2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide?
2-(3-chlorophenoxy)-N-[(4-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-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 7039861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).