5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide

C25H25BrN2O4 — CID 43887620

IUPAC5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C25H25BrN2O4/c1-17(18-6-4-3-5-7-18)27-24(29)19-8-11-21(12-9-19)28-25(30)22-16-20(26)10-13-23(22)32-15-14-31-2/h3-13,16-17H,14-15H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyRNDCGWBNXVGCJG-UHFFFAOYSA-N
MW497.39 g/mol
LogP5.22
Rot. Bonds9

About 5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide

5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide (PubChem CID 43887620) has the molecular formula C25H25BrN2O4 and a molecular weight of 497.39 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide
PubChem CID43887620
Molecular FormulaC25H25BrN2O4
Molecular Weight497.39 g/mol
Exact Mass496.10
IUPAC Name5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C25H25BrN2O4/c1-17(18-6-4-3-5-7-18)27-24(29)19-8-11-21(12-9-19)28-25(30)22-16-20(26)10-13-23(22)32-15-14-31-2/h3-13,16-17H,14-15H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyRNDCGWBNXVGCJG-UHFFFAOYSA-N
XLogP5.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.39
LogP ≤ 55.22
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

N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
CID 17357157
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide
CID 17357383
5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide
CID 975653
5-bromo-2-(2-methylpropoxy)-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157667
5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
CID 17350689
5-bromo-2-butoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17350044
5-bromo-N-[4-(butan-2-ylcarbamoyl)phenyl]-2-hexoxybenzamide
CID 17201327
5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17199571
5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350835
5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 17252356
N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-3-methylbutanamide
CID 17357411

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide (CID 43887620) is 5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide is COCCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide?
The InChIKey is RNDCGWBNXVGCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O4/c1-17(18-6-4-3-5-7-18)27-24(29)19-8-11-21(12-9-19)28-25(30)22-16-20(26)10-13-23(22)32-15-14-31-2/h3-13,16-17H,14-15H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide?
5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide has a molecular weight of 497.39 g/mol, XLogP of 5.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 43887620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).