N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide

C15H11Cl2N3O4 — CID 1381839

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O4/c16-11-6-5-10(12(17)7-11)8-18-19-15(21)9-24-14-4-2-1-3-13(14)20(22)23/h1-8H,9H2,(H,19,21)
InChIKeyVDRMWDXQIUBCJY-UHFFFAOYSA-N
MW368.18 g/mol
LogP3.43
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide

N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide (PubChem CID 1381839) has the molecular formula C15H11Cl2N3O4 and a molecular weight of 368.18 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
PubChem CID1381839
Molecular FormulaC15H11Cl2N3O4
Molecular Weight368.18 g/mol
Exact Mass367.01
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O4/c16-11-6-5-10(12(17)7-11)8-18-19-15(21)9-24-14-4-2-1-3-13(14)20(22)23/h1-8H,9H2,(H,19,21)
InChIKeyVDRMWDXQIUBCJY-UHFFFAOYSA-N
XLogP3.43
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.18
LogP ≤ 53.43
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

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 6899811
N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1104437
2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 4925945
2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 958366
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3546155
2-(2-cyanophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 5406717
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136664097
2-(4-chloro-2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 766399
N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 6166181
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7027645
2-(2-tert-butylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 19165091

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide (CID 1381839) is N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The InChIKey is VDRMWDXQIUBCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O4/c16-11-6-5-10(12(17)7-11)8-18-19-15(21)9-24-14-4-2-1-3-13(14)20(22)23/h1-8H,9H2,(H,19,21).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide has a molecular weight of 368.18 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 1381839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).