N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide

C16H14ClN3O6 — CID 135827890

IUPACN-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H14ClN3O6/c1-25-13-4-2-3-5-14(13)26-9-15(21)19-18-8-10-6-11(17)7-12(16(10)22)20(23)24/h2-8,22H,9H2,1H3,(H,19,21)/b18-8-
InChIKeyMJQNNBKHLAXDIB-LSCVHKIXSA-N
MW379.76 g/mol
LogP2.49
Rot. Bonds7

About N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide

N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide (PubChem CID 135827890) has the molecular formula C16H14ClN3O6 and a molecular weight of 379.76 g/mol. Its IUPAC name is N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
PubChem CID135827890
Molecular FormulaC16H14ClN3O6
Molecular Weight379.76 g/mol
Exact Mass379.06
IUPAC NameN-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H14ClN3O6/c1-25-13-4-2-3-5-14(13)26-9-15(21)19-18-8-10-6-11(17)7-12(16(10)22)20(23)24/h2-8,22H,9H2,1H3,(H,19,21)/b18-8-
InChIKeyMJQNNBKHLAXDIB-LSCVHKIXSA-N
XLogP2.49
TPSA123.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.76
LogP ≤ 52.49
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

N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 135644017
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 135644079
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 135578991
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 135783800
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135884091
N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1104437
2-(2-chlorophenoxy)-N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 4006296
2-(4-bromo-2-methoxyphenoxy)-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]acetamide
CID 135420094
N-[(Z)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 135562646
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136773662
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135830626
2-(2-cyanophenoxy)-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]acetamide
CID 135419880

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide (CID 135827890) is N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is MJQNNBKHLAXDIB-LSCVHKIXSA-N. The full InChI is InChI=1S/C16H14ClN3O6/c1-25-13-4-2-3-5-14(13)26-9-15(21)19-18-8-10-6-11(17)7-12(16(10)22)20(23)24/h2-8,22H,9H2,1H3,(H,19,21)/b18-8-.
What are the key properties of N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide?
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 379.76 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 135827890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).