2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

C15H10Cl2N4O7 — CID 135419524

IUPAC2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1c(Cl)cc(Cl)cc1[N+](=O)[O-])N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H10Cl2N4O7/c16-9-4-11(17)15(12(5-9)21(26)27)28-7-14(23)19-18-6-8-3-10(20(24)25)1-2-13(8)22/h1-6,22H,7H2,(H,19,23)/b18-6+
InChIKeyGIGZPFCDBSROCE-NGYBGAFCSA-N
MW429.17 g/mol
LogP3.04
Rot. Bonds7

About 2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 135419524) has the molecular formula C15H10Cl2N4O7 and a molecular weight of 429.17 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
PubChem CID135419524
Molecular FormulaC15H10Cl2N4O7
Molecular Weight429.17 g/mol
Exact Mass427.99
IUPAC Name2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESO=C(COc1c(Cl)cc(Cl)cc1[N+](=O)[O-])N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H10Cl2N4O7/c16-9-4-11(17)15(12(5-9)21(26)27)28-7-14(23)19-18-6-8-3-10(20(24)25)1-2-13(8)22/h1-6,22H,7H2,(H,19,23)/b18-6+
InChIKeyGIGZPFCDBSROCE-NGYBGAFCSA-N
XLogP3.04
TPSA157.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.17
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-(2,4-dichlorophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135827964
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135560373
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 136824462
N-(2,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide
CID 135560331
2-(3-fluorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135557639
2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 4216136
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 96881501
2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 3481888
2-[2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 135716427
N-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(4-chloro-2-nitrophenoxy)acetamide
CID 1349656
4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135514277
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 135578991

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (CID 135419524) is 2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is O=C(COc1c(Cl)cc(Cl)cc1[N+](=O)[O-])N/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is GIGZPFCDBSROCE-NGYBGAFCSA-N. The full InChI is InChI=1S/C15H10Cl2N4O7/c16-9-4-11(17)15(12(5-9)21(26)27)28-7-14(23)19-18-6-8-3-10(20(24)25)1-2-13(8)22/h1-6,22H,7H2,(H,19,23)/b18-6+.
What are the key properties of 2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 429.17 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 135419524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).