2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide

C15H11Cl2N3O5 — CID 1246133

IUPAC2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NN=Cc1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H11Cl2N3O5/c16-10-1-4-14(12(17)6-10)25-8-15(22)19-18-7-9-5-11(21)2-3-13(9)20(23)24/h1-7,21H,8H2,(H,19,22)
InChIKeyMEZJKYKJEDAPPD-UHFFFAOYSA-N
MW384.18 g/mol
LogP3.14
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide

2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide (PubChem CID 1246133) has the molecular formula C15H11Cl2N3O5 and a molecular weight of 384.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
PubChem CID1246133
Molecular FormulaC15H11Cl2N3O5
Molecular Weight384.18 g/mol
Exact Mass383.01
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NN=Cc1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H11Cl2N3O5/c16-10-1-4-14(12(17)6-10)25-8-15(22)19-18-7-9-5-11(21)2-3-13(9)20(23)24/h1-7,21H,8H2,(H,19,22)
InChIKeyMEZJKYKJEDAPPD-UHFFFAOYSA-N
XLogP3.14
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.18
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 5084295
5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate
CID 7034418
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135827964
3-[(E)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 7334056
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 40520553
2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 4925945
2-(2,4-dichlorophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6870038
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 6899811
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1381839
2-(2-cyanophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 4079853
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135559947
2-(2,4-dichlorophenoxy)-N-[(5-methyl-4-nitrothiophen-2-yl)methylideneamino]acetamide
CID 1271122

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide (CID 1246133) is 2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide is O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide?
The InChIKey is MEZJKYKJEDAPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O5/c16-10-1-4-14(12(17)6-10)25-8-15(22)19-18-7-9-5-11(21)2-3-13(9)20(23)24/h1-7,21H,8H2,(H,19,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide?
2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide has a molecular weight of 384.18 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 1246133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).