[[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate

C16H15BrN2O3 — CID 2911615

IUPAC[[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)ON=C(N)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrN2O3/c1-21-14-8-2-11(3-9-14)10-15(20)22-19-16(18)12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H2,18,19)
InChIKeySWSCHQUNUKADLM-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.86
Rot. Bonds5

About [[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate

[[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate (PubChem CID 2911615) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is [[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
PubChem CID2911615
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name[[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)ON=C(N)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrN2O3/c1-21-14-8-2-11(3-9-14)10-15(20)22-19-16(18)12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H2,18,19)
InChIKeySWSCHQUNUKADLM-UHFFFAOYSA-N
XLogP2.86
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.86
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

[(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 17373666
[(E)-[amino-(4-methoxyphenyl)methylidene]amino] (2S)-2-(4-bromophenoxy)propanoate
CID 6343633
4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate
CID 44543072
[[amino(pyridin-1-ium-2-yl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 135479158
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate
CID 6242299
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
CID 3130761
[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885626
[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methylphenyl)acetate
CID 2944500
[(Z)-[amino-(4-bromophenyl)methylidene]amino] 2,4-dimethoxybenzoate
CID 17380483
[[amino-(4-methoxyphenyl)methylidene]amino] 2-(4-bromo-3-methylphenoxy)acetate
CID 2885077
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885364
[[amino-(4-bromophenyl)methylidene]amino] 2-(4-propan-2-ylphenoxy)acetate
CID 2193249

Frequently Asked Questions

What is the IUPAC name of [[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate (CID 2911615) is [[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)ON=C(N)c2ccc(Br)cc2)cc1.
What is the InChIKey of [[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate?
The InChIKey is SWSCHQUNUKADLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-21-14-8-2-11(3-9-14)10-15(20)22-19-16(18)12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H2,18,19).
What are the key properties of [[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate?
[[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate has a molecular weight of 363.21 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 2911615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).