ethyl 3-amino-2-(2-bromophenoxy)benzoate

C15H14BrNO3 — CID 115935679

IUPACethyl 3-amino-2-(2-bromophenoxy)benzoate
SMILESCCOC(=O)c1cccc(N)c1Oc1ccccc1Br
InChIInChI=1S/C15H14BrNO3/c1-2-19-15(18)10-6-5-8-12(17)14(10)20-13-9-4-3-7-11(13)16/h3-9H,2,17H2,1H3
InChIKeyZVIUJXJZVUAQDN-UHFFFAOYSA-N
MW336.19 g/mol
LogP4.00
Rot. Bonds4

About ethyl 3-amino-2-(2-bromophenoxy)benzoate

ethyl 3-amino-2-(2-bromophenoxy)benzoate (PubChem CID 115935679) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is ethyl 3-amino-2-(2-bromophenoxy)benzoate.

Molecular Properties

Compound Nameethyl 3-amino-2-(2-bromophenoxy)benzoate
PubChem CID115935679
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Nameethyl 3-amino-2-(2-bromophenoxy)benzoate
SMILESCCOC(=O)c1cccc(N)c1Oc1ccccc1Br
InChIInChI=1S/C15H14BrNO3/c1-2-19-15(18)10-6-5-8-12(17)14(10)20-13-9-4-3-7-11(13)16/h3-9H,2,17H2,1H3
InChIKeyZVIUJXJZVUAQDN-UHFFFAOYSA-N
XLogP4.00
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-amino-2-(2-ethylphenoxy)benzoate
CID 115935732
ethyl 3-amino-2-(2,4-difluorophenoxy)benzoate
CID 115935561
ethyl 3-amino-2-(4-fluorophenoxy)benzoate
CID 115935610
ethyl 2-(2-bromophenoxy)pyridine-3-carboxylate
CID 24705692
2-(2-bromophenoxy)-3-methylaniline
CID 115550883
ethyl 3-amino-2-(3-methylphenoxy)benzoate
CID 115935608
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 3-amino-2-(2,6-dibromoanilino)benzoate
CID 107602732
methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate
CID 103175372
ethyl 2-(4-bromophenoxy)benzoate
CID 23464800
ethyl 3-amino-2-(3-methylbutoxy)benzoate
CID 112579665
ethyl 3-amino-2-hydroxybenzoate;hydrochloride
CID 117046540

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(2-bromophenoxy)benzoate?
The IUPAC name of ethyl 3-amino-2-(2-bromophenoxy)benzoate (CID 115935679) is ethyl 3-amino-2-(2-bromophenoxy)benzoate.
What is the SMILES notation for ethyl 3-amino-2-(2-bromophenoxy)benzoate?
The canonical SMILES for ethyl 3-amino-2-(2-bromophenoxy)benzoate is CCOC(=O)c1cccc(N)c1Oc1ccccc1Br.
What is the InChIKey of ethyl 3-amino-2-(2-bromophenoxy)benzoate?
The InChIKey is ZVIUJXJZVUAQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-2-19-15(18)10-6-5-8-12(17)14(10)20-13-9-4-3-7-11(13)16/h3-9H,2,17H2,1H3.
What are the key properties of ethyl 3-amino-2-(2-bromophenoxy)benzoate?
ethyl 3-amino-2-(2-bromophenoxy)benzoate has a molecular weight of 336.19 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(2-bromophenoxy)benzoate is sourced from PubChem (CID 115935679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).