5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide

C15H15BrN2O3 — CID 106956131

IUPAC5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide
SMILESNC(=O)c1cc(N)ccc1OCCOc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O3/c16-10-1-4-12(5-2-10)20-7-8-21-14-6-3-11(17)9-13(14)15(18)19/h1-6,9H,7-8,17H2,(H2,18,19)
InChIKeyFXYUIGXKFDXWSZ-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.59
Rot. Bonds6

About 5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide

5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide (PubChem CID 106956131) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide.

Molecular Properties

Compound Name5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide
PubChem CID106956131
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide
SMILESNC(=O)c1cc(N)ccc1OCCOc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O3/c16-10-1-4-12(5-2-10)20-7-8-21-14-6-3-11(17)9-13(14)15(18)19/h1-6,9H,7-8,17H2,(H2,18,19)
InChIKeyFXYUIGXKFDXWSZ-UHFFFAOYSA-N
XLogP2.59
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-butoxybenzamide
CID 61305277
5-amino-2-(3-amino-3-oxopropoxy)benzamide
CID 106956094
5-amino-2-(3-methylsulfonylpropoxy)benzamide
CID 106956095
1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541088
5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide
CID 106264677
2-amino-5-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 107077092
1-[2-[2-(4-bromophenoxy)ethoxy]-5-fluorophenyl]ethanone
CID 78906384
5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956179
2-(4-bromophenoxy)ethyl 4-aminobenzoate
CID 60643099
5-amino-2-(4-bromoanilino)benzamide
CID 55125298
5-amino-2-(2,2,2-trifluoroethoxy)benzamide
CID 61312859
5-bromo-2-(3-methylbutoxy)benzamide
CID 67555588

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide?
The IUPAC name of 5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide (CID 106956131) is 5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide.
What is the SMILES notation for 5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide?
The canonical SMILES for 5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide is NC(=O)c1cc(N)ccc1OCCOc1ccc(Br)cc1.
What is the InChIKey of 5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide?
The InChIKey is FXYUIGXKFDXWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c16-10-1-4-12(5-2-10)20-7-8-21-14-6-3-11(17)9-13(14)15(18)19/h1-6,9H,7-8,17H2,(H2,18,19).
What are the key properties of 5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide?
5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide has a molecular weight of 351.20 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide is sourced from PubChem (CID 106956131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).