N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide

C15H10Cl2N4O6 — CID 137118534

IUPACN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H10Cl2N4O6/c16-10-3-9(15(23)12(17)5-10)7-18-19-14(22)4-8-1-2-11(20(24)25)6-13(8)21(26)27/h1-3,5-7,23H,4H2,(H,19,22)/b18-7-
InChIKeyIQOOOOPCCQYNRP-WSVATBPTSA-N
MW413.17 g/mol
LogP3.21
Rot. Bonds6

About N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide

N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide (PubChem CID 137118534) has the molecular formula C15H10Cl2N4O6 and a molecular weight of 413.17 g/mol. Its IUPAC name is N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide
PubChem CID137118534
Molecular FormulaC15H10Cl2N4O6
Molecular Weight413.17 g/mol
Exact Mass412.00
IUPAC NameN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H10Cl2N4O6/c16-10-3-9(15(23)12(17)5-10)7-18-19-14(22)4-8-1-2-11(20(24)25)6-13(8)21(26)27/h1-3,5-7,23H,4H2,(H,19,22)/b18-7-
InChIKeyIQOOOOPCCQYNRP-WSVATBPTSA-N
XLogP3.21
TPSA147.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.17
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 5173716
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135623996
2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135531713
N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-cyanoacetamide
CID 3254960
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 171985513
2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135419524
N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4291716
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 136844889
2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 4628926
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide
CID 136858172
2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3698846
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 135578991

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide?
The IUPAC name of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide (CID 137118534) is N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide.
What is the SMILES notation for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide?
The canonical SMILES for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C\c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide?
The InChIKey is IQOOOOPCCQYNRP-WSVATBPTSA-N. The full InChI is InChI=1S/C15H10Cl2N4O6/c16-10-3-9(15(23)12(17)5-10)7-18-19-14(22)4-8-1-2-11(20(24)25)6-13(8)21(26)27/h1-3,5-7,23H,4H2,(H,19,22)/b18-7-.
What are the key properties of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide?
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide has a molecular weight of 413.17 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide is sourced from PubChem (CID 137118534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).