3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide

C25H25BrN2O4 — CID 17356398

IUPAC3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1Br
InChIInChI=1S/C25H25BrN2O4/c1-31-15-16-32-23-12-11-19(17-21(23)26)24(29)28-22-10-6-5-9-20(22)25(30)27-14-13-18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H,27,30)(H,28,29)
InChIKeyBMIFXAXRUWGKDY-UHFFFAOYSA-N
MW497.39 g/mol
LogP4.70
Rot. Bonds10

About 3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide

3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide (PubChem CID 17356398) has the molecular formula C25H25BrN2O4 and a molecular weight of 497.39 g/mol. Its IUPAC name is 3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
PubChem CID17356398
Molecular FormulaC25H25BrN2O4
Molecular Weight497.39 g/mol
Exact Mass496.10
IUPAC Name3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1Br
InChIInChI=1S/C25H25BrN2O4/c1-31-15-16-32-23-12-11-19(17-21(23)26)24(29)28-22-10-6-5-9-20(22)25(30)27-14-13-18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H,27,30)(H,28,29)
InChIKeyBMIFXAXRUWGKDY-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'}

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Related Compounds

3-bromo-4-(2-phenylethoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 17072791
N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17356400
3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide
CID 17356314
3-bromo-4-(2-phenylethoxy)-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17072789
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17149402
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 17149395
3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342812
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
3-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17086990
methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178238
3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide
CID 17072631
3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide
CID 17073272

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide (CID 17356398) is 3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide is COCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1Br.
What is the InChIKey of 3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
The InChIKey is BMIFXAXRUWGKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O4/c1-31-15-16-32-23-12-11-19(17-21(23)26)24(29)28-22-10-6-5-9-20(22)25(30)27-14-13-18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]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 3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17356398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).