3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide

C36H38Br2N2O4 — CID 17073272

IUPAC3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide
SMILESO=C(NCCCCCCNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(OCCc2ccccc2)c(Br)c1
InChIInChI=1S/C36H38Br2N2O4/c37-31-25-29(15-17-33(31)43-23-19-27-11-5-3-6-12-27)35(41)39-21-9-1-2-10-22-40-36(42)30-16-18-34(32(38)26-30)44-24-20-28-13-7-4-8-14-28/h3-8,11-18,25-26H,1-2,9-10,19-24H2,(H,39,41)(H,40,42)
InChIKeyXFUYDIUZNIYFKD-UHFFFAOYSA-N
MW722.52 g/mol
LogP8.17
Rot. Bonds17

About 3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide

3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide (PubChem CID 17073272) has the molecular formula C36H38Br2N2O4 and a molecular weight of 722.52 g/mol. Its IUPAC name is 3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide
PubChem CID17073272
Molecular FormulaC36H38Br2N2O4
Molecular Weight722.52 g/mol
Exact Mass720.12
IUPAC Name3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide
SMILESO=C(NCCCCCCNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(OCCc2ccccc2)c(Br)c1
InChIInChI=1S/C36H38Br2N2O4/c37-31-25-29(15-17-33(31)43-23-19-27-11-5-3-6-12-27)35(41)39-21-9-1-2-10-22-40-36(42)30-16-18-34(32(38)26-30)44-24-20-28-13-7-4-8-14-28/h3-8,11-18,25-26H,1-2,9-10,19-24H2,(H,39,41)(H,40,42)
InChIKeyXFUYDIUZNIYFKD-UHFFFAOYSA-N
XLogP8.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.52
LogP ≤ 58.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)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

3-bromo-N-(heptylcarbamothioyl)-4-(2-phenylethoxy)benzamide
CID 17073002
3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072648
3-bromo-4-(3-phenylpropoxy)benzohydrazide
CID 54793160
3-bromo-4-(2-phenylethoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 17072791
3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide
CID 17233431
3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide
CID 54781131
3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide
CID 17233441
3-bromo-N-[2-(N-[3-bromo-4-(2-phenylethoxy)benzoyl]anilino)ethyl]-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17073276
3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 17356398
N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide
CID 17189867
3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide
CID 17072631
3-bromo-4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067024

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide?
The IUPAC name of 3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide (CID 17073272) is 3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide.
What is the SMILES notation for 3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide?
The canonical SMILES for 3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide is O=C(NCCCCCCNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(OCCc2ccccc2)c(Br)c1.
What is the InChIKey of 3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide?
The InChIKey is XFUYDIUZNIYFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38Br2N2O4/c37-31-25-29(15-17-33(31)43-23-19-27-11-5-3-6-12-27)35(41)39-21-9-1-2-10-22-40-36(42)30-16-18-34(32(38)26-30)44-24-20-28-13-7-4-8-14-28/h3-8,11-18,25-26H,1-2,9-10,19-24H2,(H,39,41)(H,40,42).
What are the key properties of 3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide?
3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide has a molecular weight of 722.52 g/mol, XLogP of 8.17, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17073272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).