[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate

C15H12BrClN2O3 — CID 2885364

IUPAC[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
SMILESNC(=NOC(=O)COc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12BrClN2O3/c16-11-3-7-13(8-4-11)21-9-14(20)22-19-15(18)10-1-5-12(17)6-2-10/h1-8H,9H2,(H2,18,19)
InChIKeyFYDIZZVSPHFADT-UHFFFAOYSA-N
MW383.63 g/mol
LogP3.35
Rot. Bonds5

About [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate

[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate (PubChem CID 2885364) has the molecular formula C15H12BrClN2O3 and a molecular weight of 383.63 g/mol. Its IUPAC name is [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate.

Molecular Properties

Compound Name[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
PubChem CID2885364
Molecular FormulaC15H12BrClN2O3
Molecular Weight383.63 g/mol
Exact Mass381.97
IUPAC Name[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
SMILESNC(=NOC(=O)COc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12BrClN2O3/c16-11-3-7-13(8-4-11)21-9-14(20)22-19-15(18)10-1-5-12(17)6-2-10/h1-8H,9H2,(H2,18,19)
InChIKeyFYDIZZVSPHFADT-UHFFFAOYSA-N
XLogP3.35
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 53.35
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-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 5000485
[[amino-(4-bromophenyl)methylidene]amino] 2-(4-propan-2-ylphenoxy)acetate
CID 2193249
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-ethylphenoxy)acetate
CID 2913363
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-nitrophenoxy)acetate
CID 2204314
[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885626
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate
CID 5348667
[[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate
CID 2869302
[(Z)-[amino-[4-(2-amino-2-oxoethoxy)phenyl]methylidene]amino] 4-bromobenzoate
CID 19298217
[[amino-(4-chlorophenyl)methylidene]amino] 2-(3-methylphenoxy)acetate
CID 2885323
[[amino(pyridin-3-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 3821505
2-(4-bromophenoxy)ethyl 2-(4-chlorophenoxy)acetate
CID 2363711
[(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate
CID 30075448

Frequently Asked Questions

What is the IUPAC name of [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate?
The IUPAC name of [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate (CID 2885364) is [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate.
What is the SMILES notation for [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate?
The canonical SMILES for [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate is NC(=NOC(=O)COc1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate?
The InChIKey is FYDIZZVSPHFADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O3/c16-11-3-7-13(8-4-11)21-9-14(20)22-19-15(18)10-1-5-12(17)6-2-10/h1-8H,9H2,(H2,18,19).
What are the key properties of [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate?
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate has a molecular weight of 383.63 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate is sourced from PubChem (CID 2885364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).