[(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate

C19H15BrN2O3 — CID 17369182

IUPAC[(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate
SMILESN/C(=N\OC(=O)COc1cccc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN2O3/c20-15-10-8-14(9-11-15)19(21)22-25-18(23)12-24-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H2,21,22)
InChIKeyVABXMEZNSBNVED-UHFFFAOYSA-N
MW399.24 g/mol
LogP3.84
Rot. Bonds5

About [(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate

[(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate (PubChem CID 17369182) has the molecular formula C19H15BrN2O3 and a molecular weight of 399.24 g/mol. Its IUPAC name is [(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate.

Molecular Properties

Compound Name[(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate
PubChem CID17369182
Molecular FormulaC19H15BrN2O3
Molecular Weight399.24 g/mol
Exact Mass398.03
IUPAC Name[(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate
SMILESN/C(=N\OC(=O)COc1cccc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN2O3/c20-15-10-8-14(9-11-15)19(21)22-25-18(23)12-24-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H2,21,22)
InChIKeyVABXMEZNSBNVED-UHFFFAOYSA-N
XLogP3.84
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[amino-(4-bromophenyl)methylidene]amino] 2-(2,5-dimethylphenoxy)acetate
CID 2913710
[[amino-(3-bromophenyl)methylidene]amino] 2-(2-methoxyphenoxy)acetate
CID 3880243
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885364
[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885626
[[amino-(4-bromophenyl)methylidene]amino] 2-(4-propan-2-ylphenoxy)acetate
CID 2193249
naphthalen-1-yl 2-(2,4-dibromophenoxy)acetate
CID 23010996
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate
CID 5348667
[[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate
CID 170771225
[[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 2911615
[(Z)-[amino-[4-(2-amino-2-oxoethoxy)phenyl]methylidene]amino] 4-bromobenzoate
CID 19298217
(2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate
CID 35862747
[[amino-(4-methoxyphenyl)methylidene]amino] 2-(4-bromo-3-methylphenoxy)acetate
CID 2885077

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate?
The IUPAC name of [(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate (CID 17369182) is [(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate.
What is the SMILES notation for [(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate?
The canonical SMILES for [(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate is N/C(=N\OC(=O)COc1cccc2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of [(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate?
The InChIKey is VABXMEZNSBNVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3/c20-15-10-8-14(9-11-15)19(21)22-25-18(23)12-24-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H2,21,22).
What are the key properties of [(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate?
[(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate has a molecular weight of 399.24 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-1-yloxyacetate is sourced from PubChem (CID 17369182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).