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

C15H14Br2N2O2 — CID 81092795

IUPAC3-amino-N-(2,5-dibromophenyl)-5-ethoxybenzamide
SMILESCCOc1cc(N)cc(C(=O)Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H14Br2N2O2/c1-2-21-12-6-9(5-11(18)8-12)15(20)19-14-7-10(16)3-4-13(14)17/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyKUYHGKHELRSSAT-UHFFFAOYSA-N
MW414.10 g/mol
LogP4.44
Rot. Bonds4

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

3-amino-N-(2,5-dibromophenyl)-5-ethoxybenzamide (PubChem CID 81092795) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 3-amino-N-(2,5-dibromophenyl)-5-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dibromophenyl)-5-ethoxybenzamide
PubChem CID81092795
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name3-amino-N-(2,5-dibromophenyl)-5-ethoxybenzamide
SMILESCCOc1cc(N)cc(C(=O)Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H14Br2N2O2/c1-2-21-12-6-9(5-11(18)8-12)15(20)19-14-7-10(16)3-4-13(14)17/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyKUYHGKHELRSSAT-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'}

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

3-amino-N-(3-bromo-2-methylphenyl)-5-ethoxybenzamide
CID 107623961
3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide
CID 61466319
3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide
CID 81091759
3-amino-N-(2,5-dibromophenyl)benzamide
CID 43714178
3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide
CID 81094945
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide
CID 1235281
3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
CID 83108291
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide
CID 107843413
3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
CID 81091071

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dibromophenyl)-5-ethoxybenzamide?
The IUPAC name of 3-amino-N-(2,5-dibromophenyl)-5-ethoxybenzamide (CID 81092795) is 3-amino-N-(2,5-dibromophenyl)-5-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-(2,5-dibromophenyl)-5-ethoxybenzamide?
The canonical SMILES for 3-amino-N-(2,5-dibromophenyl)-5-ethoxybenzamide is CCOc1cc(N)cc(C(=O)Nc2cc(Br)ccc2Br)c1.
What is the InChIKey of 3-amino-N-(2,5-dibromophenyl)-5-ethoxybenzamide?
The InChIKey is KUYHGKHELRSSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c1-2-21-12-6-9(5-11(18)8-12)15(20)19-14-7-10(16)3-4-13(14)17/h3-8H,2,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(2,5-dibromophenyl)-5-ethoxybenzamide?
3-amino-N-(2,5-dibromophenyl)-5-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)-5-ethoxybenzamide is sourced from PubChem (CID 81092795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).