N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide

C14H17Br2N3O4 — CID 135905102

IUPACN-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESCOc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)c(Br)c1O
InChIInChI=1S/C14H17Br2N3O4/c1-22-10-6-9(12(15)13(16)14(10)21)7-17-18-11(20)8-19-2-4-23-5-3-19/h6-7,21H,2-5,8H2,1H3,(H,18,20)/b17-7-
InChIKeyUKCFDSWXOLEKCC-IDUWFGFVSA-N
MW451.12 g/mol
LogP1.71
Rot. Bonds5

About N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide

N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 135905102) has the molecular formula C14H17Br2N3O4 and a molecular weight of 451.12 g/mol. Its IUPAC name is N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID135905102
Molecular FormulaC14H17Br2N3O4
Molecular Weight451.12 g/mol
Exact Mass448.96
IUPAC NameN-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESCOc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)c(Br)c1O
InChIInChI=1S/C14H17Br2N3O4/c1-22-10-6-9(12(15)13(16)14(10)21)7-17-18-11(20)8-19-2-4-23-5-3-19/h6-7,21H,2-5,8H2,1H3,(H,18,20)/b17-7-
InChIKeyUKCFDSWXOLEKCC-IDUWFGFVSA-N
XLogP1.71
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.12
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6877310
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5344300
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268
N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6063985
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135956316
methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 2274594
N-[(E)-[2-bromo-4-[(2-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride
CID 175666792
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137064436
N-[(E)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135684249
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137077970
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 667965
N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137121122

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide (CID 135905102) is N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide is COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)c(Br)c1O.
What is the InChIKey of N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is UKCFDSWXOLEKCC-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H17Br2N3O4/c1-22-10-6-9(12(15)13(16)14(10)21)7-17-18-11(20)8-19-2-4-23-5-3-19/h6-7,21H,2-5,8H2,1H3,(H,18,20)/b17-7-.
What are the key properties of N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 451.12 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 135905102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).