N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide

C19H17Cl3N4O5 — CID 126016119

IUPACN-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H17Cl3N4O5/c20-13-8-14(21)19(22)17(9-13)31-11-18(27)24-23-10-12-1-2-15(16(7-12)26(28)29)25-3-5-30-6-4-25/h1-2,7-10H,3-6,11H2,(H,24,27)/b23-10-
InChIKeyASTRLXXMZMIERM-RMORIDSASA-N
MW487.73 g/mol
LogP3.92
Rot. Bonds7

About N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide

N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide (PubChem CID 126016119) has the molecular formula C19H17Cl3N4O5 and a molecular weight of 487.73 g/mol. Its IUPAC name is N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
PubChem CID126016119
Molecular FormulaC19H17Cl3N4O5
Molecular Weight487.73 g/mol
Exact Mass486.03
IUPAC NameN-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H17Cl3N4O5/c20-13-8-14(21)19(22)17(9-13)31-11-18(27)24-23-10-12-1-2-15(16(7-12)26(28)29)25-3-5-30-6-4-25/h1-2,7-10H,3-6,11H2,(H,24,27)/b23-10-
InChIKeyASTRLXXMZMIERM-RMORIDSASA-N
XLogP3.92
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.73
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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

N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
CID 126027677
N-[(E)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 16760828
5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate
CID 7034418
2-(2,5-dichlorophenoxy)-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 135610802
2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 126027173
N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 126015638
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]benzamide
CID 126018279
N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide
CID 3793255
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 1123640
2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide
CID 7550395
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 3961255
2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127202

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide (CID 126016119) is N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide?
The InChIKey is ASTRLXXMZMIERM-RMORIDSASA-N. The full InChI is InChI=1S/C19H17Cl3N4O5/c20-13-8-14(21)19(22)17(9-13)31-11-18(27)24-23-10-12-1-2-15(16(7-12)26(28)29)25-3-5-30-6-4-25/h1-2,7-10H,3-6,11H2,(H,24,27)/b23-10-.
What are the key properties of N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide?
N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide has a molecular weight of 487.73 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 126016119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).