2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate

C17H15Br2NO4 — CID 2407342

IUPAC2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Br)cc1)OCCOc1cccc(Br)c1
InChIInChI=1S/C17H15Br2NO4/c18-13-6-4-12(5-7-13)17(22)20-11-16(21)24-9-8-23-15-3-1-2-14(19)10-15/h1-7,10H,8-9,11H2,(H,20,22)
InChIKeyMJKZUAXGYNPYDM-UHFFFAOYSA-N
MW457.12 g/mol
LogP3.56
Rot. Bonds7

About 2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate

2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate (PubChem CID 2407342) has the molecular formula C17H15Br2NO4 and a molecular weight of 457.12 g/mol. Its IUPAC name is 2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate
PubChem CID2407342
Molecular FormulaC17H15Br2NO4
Molecular Weight457.12 g/mol
Exact Mass454.94
IUPAC Name2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Br)cc1)OCCOc1cccc(Br)c1
InChIInChI=1S/C17H15Br2NO4/c18-13-6-4-12(5-7-13)17(22)20-11-16(21)24-9-8-23-15-3-1-2-14(19)10-15/h1-7,10H,8-9,11H2,(H,20,22)
InChIKeyMJKZUAXGYNPYDM-UHFFFAOYSA-N
XLogP3.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.12
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenoxy)ethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 2492843
4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide
CID 60549507
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
2-(3-methylphenoxy)ethyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880382
4-[2-(3-bromophenoxy)ethoxy]benzamide
CID 26217003
ethyl 2-[3-(3-bromophenoxy)propanoylamino]acetate
CID 54921404
2-(3-bromophenoxy)ethyl 2-phenoxyacetate
CID 55313634
2-(3-bromophenoxy)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734567
2-(3-methylphenoxy)ethyl 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 42965613
4-bromo-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 54791265
2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833306
2-(3-methylphenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899388

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate?
The IUPAC name of 2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate (CID 2407342) is 2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate.
What is the SMILES notation for 2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate?
The canonical SMILES for 2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Br)cc1)OCCOc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate?
The InChIKey is MJKZUAXGYNPYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2NO4/c18-13-6-4-12(5-7-13)17(22)20-11-16(21)24-9-8-23-15-3-1-2-14(19)10-15/h1-7,10H,8-9,11H2,(H,20,22).
What are the key properties of 2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate?
2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate has a molecular weight of 457.12 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate is sourced from PubChem (CID 2407342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).