3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide

C15H14Br2N2O2 — CID 61466319

IUPAC3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(Br)ccc2Br)cc1N
InChIInChI=1S/C15H14Br2N2O2/c1-2-21-14-6-3-9(7-12(14)18)15(20)19-13-8-10(16)4-5-11(13)17/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyHMFRXDAUHQRYEM-UHFFFAOYSA-N
MW414.10 g/mol
LogP4.44
Rot. Bonds4

About 3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide

3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide (PubChem CID 61466319) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide
PubChem CID61466319
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(Br)ccc2Br)cc1N
InChIInChI=1S/C15H14Br2N2O2/c1-2-21-14-6-3-9(7-12(14)18)15(20)19-13-8-10(16)4-5-11(13)17/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyHMFRXDAUHQRYEM-UHFFFAOYSA-N
XLogP4.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide
CID 61091755
3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide
CID 61090839
3-amino-N-(2,5-dibromophenyl)-5-ethoxybenzamide
CID 81092795
3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 61102222
3-amino-N-[(4-bromophenyl)methyl]-4-ethoxybenzamide
CID 61090989
3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
CID 61093521
3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide
CID 91684337
N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
CID 29008332
4-bromo-N-(2-ethoxy-5-methylphenyl)benzamide
CID 868412
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3-amino-N-(2,5-dibromophenyl)benzamide
CID 43714178
3-amino-4-ethoxy-N-(1,2,4-triazin-3-yl)benzamide
CID 114386749

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide?
The IUPAC name of 3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide (CID 61466319) is 3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide?
The canonical SMILES for 3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cc(Br)ccc2Br)cc1N.
What is the InChIKey of 3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide?
The InChIKey is HMFRXDAUHQRYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c1-2-21-14-6-3-9(7-12(14)18)15(20)19-13-8-10(16)4-5-11(13)17/h3-8H,2,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide?
3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide has a molecular weight of 414.10 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide is sourced from PubChem (CID 61466319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).