5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide

C19H21BrN2O4 — CID 17357318

IUPAC5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
SMILESCCNC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1OCCOC
InChIInChI=1S/C19H21BrN2O4/c1-3-21-18(23)14-6-4-5-7-16(14)22-19(24)15-12-13(20)8-9-17(15)26-11-10-25-2/h4-9,12H,3,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMAFXGCRHGRFQSQ-UHFFFAOYSA-N
MW421.29 g/mol
LogP3.48
Rot. Bonds8

About 5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide

5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide (PubChem CID 17357318) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is 5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
PubChem CID17357318
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC Name5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
SMILESCCNC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1OCCOC
InChIInChI=1S/C19H21BrN2O4/c1-3-21-18(23)14-6-4-5-7-16(14)22-19(24)15-12-13(20)8-9-17(15)26-11-10-25-2/h4-9,12H,3,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMAFXGCRHGRFQSQ-UHFFFAOYSA-N
XLogP3.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.48
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

5-bromo-N-[[2-(ethylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17357629
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide
CID 17357158
5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17357287
5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide
CID 17350057
5-bromo-2-(2-methoxyethoxy)-N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 46760627
5-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17086991
5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 17050842
5-bromo-2-butoxy-N-[[2-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17350516
2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949434
2-[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]benzoic acid
CID 54856145

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide?
The IUPAC name of 5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide (CID 17357318) is 5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide?
The canonical SMILES for 5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide is CCNC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1OCCOC.
What is the InChIKey of 5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide?
The InChIKey is MAFXGCRHGRFQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-3-21-18(23)14-6-4-5-7-16(14)22-19(24)15-12-13(20)8-9-17(15)26-11-10-25-2/h4-9,12H,3,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide?
5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide has a molecular weight of 421.29 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17357318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).