5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide

C25H25BrN2O4 — CID 17150403

IUPAC5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C25H25BrN2O4/c1-31-16-14-27-24(29)20-9-5-6-10-22(20)28-25(30)21-17-19(26)11-12-23(21)32-15-13-18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyXPCZKIPIKCRVLW-UHFFFAOYSA-N
MW497.39 g/mol
LogP4.70
Rot. Bonds10

About 5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide

5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide (PubChem CID 17150403) has the molecular formula C25H25BrN2O4 and a molecular weight of 497.39 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
PubChem CID17150403
Molecular FormulaC25H25BrN2O4
Molecular Weight497.39 g/mol
Exact Mass496.10
IUPAC Name5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1OCCc1ccccc1
InChIInChI=1S/C25H25BrN2O4/c1-31-16-14-27-24(29)20-9-5-6-10-22(20)28-25(30)21-17-19(26)11-12-23(21)32-15-13-18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyXPCZKIPIKCRVLW-UHFFFAOYSA-N
XLogP4.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.39
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(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

5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177
5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
CID 17046885
5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide
CID 17046174
5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357318
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046203
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912
N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046109
5-bromo-2-(2-phenylethoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17046139
3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 17356398
5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131495
3-bromo-4-(2-phenylethoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 17072791
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
The IUPAC name of 5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide (CID 17150403) is 5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
The canonical SMILES for 5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide is COCCNC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1OCCc1ccccc1.
What is the InChIKey of 5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
The InChIKey is XPCZKIPIKCRVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O4/c1-31-16-14-27-24(29)20-9-5-6-10-22(20)28-25(30)21-17-19(26)11-12-23(21)32-15-13-18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide?
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide has a molecular weight of 497.39 g/mol, XLogP of 4.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17150403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).