N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C19H14BrN3O7 — CID 3557369

IUPACN-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NN=Cc3cc(Br)cc([N+](=O)[O-])c3O)ccc12
InChIInChI=1S/C19H14BrN3O7/c1-10-4-18(25)30-16-7-13(2-3-14(10)16)29-9-17(24)22-21-8-11-5-12(20)6-15(19(11)26)23(27)28/h2-8,26H,9H2,1H3,(H,22,24)
InChIKeyZBSXMXLJSKMUBM-UHFFFAOYSA-N
MW476.24 g/mol
LogP3.01
Rot. Bonds6

About N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 3557369) has the molecular formula C19H14BrN3O7 and a molecular weight of 476.24 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID3557369
Molecular FormulaC19H14BrN3O7
Molecular Weight476.24 g/mol
Exact Mass475.00
IUPAC NameN-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NN=Cc3cc(Br)cc([N+](=O)[O-])c3O)ccc12
InChIInChI=1S/C19H14BrN3O7/c1-10-4-18(25)30-16-7-13(2-3-14(10)16)29-9-17(24)22-21-8-11-5-12(20)6-15(19(11)26)23(27)28/h2-8,26H,9H2,1H3,(H,22,24)
InChIKeyZBSXMXLJSKMUBM-UHFFFAOYSA-N
XLogP3.01
TPSA144.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.24
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', '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-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 135716895
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-butan-2-ylphenoxy)acetamide
CID 135579298
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 9412255
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3557372
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide
CID 2925103
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 6862540
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 1367251
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412335
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412099
N-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412039
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,5-dimethylphenyl)acetamide
CID 137180751
2-(4-chloro-3-methylphenoxy)-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 135607176

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 3557369) is N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3cc(Br)cc([N+](=O)[O-])c3O)ccc12.
What is the InChIKey of N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is ZBSXMXLJSKMUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O7/c1-10-4-18(25)30-16-7-13(2-3-14(10)16)29-9-17(24)22-21-8-11-5-12(20)6-15(19(11)26)23(27)28/h2-8,26H,9H2,1H3,(H,22,24).
What are the key properties of N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 476.24 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 3557369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).