5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide

C21H23BrN2O4 — CID 17357287

IUPAC5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C21H23BrN2O4/c1-27-12-13-28-19-9-8-15(22)14-17(19)20(25)23-18-7-3-2-6-16(18)21(26)24-10-4-5-11-24/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,23,25)
InChIKeyCVCRGNRZSKHTJB-UHFFFAOYSA-N
MW447.33 g/mol
LogP3.96
Rot. Bonds7

About 5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide

5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 17357287) has the molecular formula C21H23BrN2O4 and a molecular weight of 447.33 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID17357287
Molecular FormulaC21H23BrN2O4
Molecular Weight447.33 g/mol
Exact Mass446.08
IUPAC Name5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C21H23BrN2O4/c1-27-12-13-28-19-9-8-15(22)14-17(19)20(25)23-18-7-3-2-6-16(18)21(26)24-10-4-5-11-24/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,23,25)
InChIKeyCVCRGNRZSKHTJB-UHFFFAOYSA-N
XLogP3.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17355401
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-5-bromo-2-(3-methylbutoxy)benzamide
CID 17351103
5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17350054
5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357318
4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 134012574
5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide
CID 17357158
5-bromo-2-propan-2-yloxy-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17052032
2-[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]benzoic acid
CID 54856145
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395
2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17188921

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 17357287) is 5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide is COCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of 5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is CVCRGNRZSKHTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O4/c1-27-12-13-28-19-9-8-15(22)14-17(19)20(25)23-18-7-3-2-6-16(18)21(26)24-10-4-5-11-24/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,23,25).
What are the key properties of 5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 447.33 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17357287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).