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

C20H23BrN2O4 — CID 17222743

IUPAC3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2ccc(OCCOC)c(Br)c2)c1
InChIInChI=1S/C20H23BrN2O4/c1-3-9-22-19(24)14-5-4-6-16(12-14)23-20(25)15-7-8-18(17(21)13-15)27-11-10-26-2/h4-8,12-13H,3,9-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCLLMAJHJWJVYEX-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.87
Rot. Bonds9

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

3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide (PubChem CID 17222743) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is 3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide
PubChem CID17222743
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC Name3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2ccc(OCCOC)c(Br)c2)c1
InChIInChI=1S/C20H23BrN2O4/c1-3-9-22-19(24)14-5-4-6-16(12-14)23-20(25)15-7-8-18(17(21)13-15)27-11-10-26-2/h4-8,12-13H,3,9-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCLLMAJHJWJVYEX-UHFFFAOYSA-N
XLogP3.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.87
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-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17231899
3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218947
N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17234914
3-bromo-N-[3-(butylcarbamoyl)phenyl]-4-ethoxybenzamide
CID 17197037
3-bromo-N-[3-(tert-butylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 28639507
3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide
CID 26160564
3-bromo-4-butoxy-N-[[3-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 26160805
3-bromo-4-methoxy-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17223018
3-bromo-4-(2-methoxyethoxy)-N-[[3-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 54781343
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 17231880
3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide
CID 17096782
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide (CID 17222743) is 3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide is CCCNC(=O)c1cccc(NC(=O)c2ccc(OCCOC)c(Br)c2)c1.
What is the InChIKey of 3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide?
The InChIKey is CLLMAJHJWJVYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-3-9-22-19(24)14-5-4-6-16(12-14)23-20(25)15-7-8-18(17(21)13-15)27-11-10-26-2/h4-8,12-13H,3,9-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide?
3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide has a molecular weight of 435.32 g/mol, XLogP of 3.87, 9 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-[3-(propylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17222743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).