N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide

C32H24BrN3O4 — CID 5195606

IUPACN'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
SMILESO=C(NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C32H24BrN3O4/c33-24-9-6-7-22(19-24)21-39-30-18-13-23-8-4-5-12-28(23)29(30)20-34-36-32(38)31(37)35-25-14-16-27(17-15-25)40-26-10-2-1-3-11-26/h1-20H,21H2,(H,35,37)(H,36,38)
InChIKeyWINABIOZHPUQON-UHFFFAOYSA-N
MW594.47 g/mol
LogP7.06
Rot. Bonds8

About N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide

N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide (PubChem CID 5195606) has the molecular formula C32H24BrN3O4 and a molecular weight of 594.47 g/mol. Its IUPAC name is N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
PubChem CID5195606
Molecular FormulaC32H24BrN3O4
Molecular Weight594.47 g/mol
Exact Mass593.10
IUPAC NameN'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
SMILESO=C(NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C32H24BrN3O4/c33-24-9-6-7-22(19-24)21-39-30-18-13-23-8-4-5-12-28(23)29(30)20-34-36-32(38)31(37)35-25-14-16-27(17-15-25)40-26-10-2-1-3-11-26/h1-20H,21H2,(H,35,37)(H,36,38)
InChIKeyWINABIOZHPUQON-UHFFFAOYSA-N
XLogP7.06
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.47
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide
CID 25251113
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide
CID 85032915
N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide
CID 6106773
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide
CID 4108079
N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6871189
2-(benzenesulfonamido)-N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 4599921
2-(benzenesulfonamido)-N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 6160921
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide
CID 3249643
N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51060784
N'-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 6266636
N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide
CID 8901914
N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide
CID 3675600

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide?
The IUPAC name of N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide (CID 5195606) is N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide.
What is the SMILES notation for N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide?
The canonical SMILES for N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide is O=C(NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide?
The InChIKey is WINABIOZHPUQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24BrN3O4/c33-24-9-6-7-22(19-24)21-39-30-18-13-23-8-4-5-12-28(23)29(30)20-34-36-32(38)31(37)35-25-14-16-27(17-15-25)40-26-10-2-1-3-11-26/h1-20H,21H2,(H,35,37)(H,36,38).
What are the key properties of N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide?
N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide has a molecular weight of 594.47 g/mol, XLogP of 7.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide is sourced from PubChem (CID 5195606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).