N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide

C23H21BrN2O4 — CID 17234914

IUPACN-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1Br
InChIInChI=1S/C23H21BrN2O4/c1-29-12-13-30-21-11-10-17(14-20(21)24)23(28)26-19-9-5-8-18(15-19)25-22(27)16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3,(H,25,27)(H,26,28)
InChIKeyFOVJKPJBSUCHKY-UHFFFAOYSA-N
MW469.34 g/mol
LogP4.98
Rot. Bonds8

About N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide

N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide (PubChem CID 17234914) has the molecular formula C23H21BrN2O4 and a molecular weight of 469.34 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide
PubChem CID17234914
Molecular FormulaC23H21BrN2O4
Molecular Weight469.34 g/mol
Exact Mass468.07
IUPAC NameN-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1Br
InChIInChI=1S/C23H21BrN2O4/c1-29-12-13-30-21-11-10-17(14-20(21)24)23(28)26-19-9-5-8-18(15-19)25-22(27)16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3,(H,25,27)(H,26,28)
InChIKeyFOVJKPJBSUCHKY-UHFFFAOYSA-N
XLogP4.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 54.98
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-[(3-benzamidophenyl)carbamothioyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17235195
3-bromo-4-(2-methoxyethoxy)-N-[[3-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 54781343
3-bromo-N-[3-(tert-butylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 28639507
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17231899
3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 17222743
3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide
CID 17356314
N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide
CID 17189867
3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide
CID 54781131
3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123630
3-bromo-N-(3-methoxyphenyl)-4-(2-phenylethoxy)benzamide
CID 17072702
3-bromo-4-butoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235626
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide?
The IUPAC name of N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide (CID 17234914) is N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide is COCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1Br.
What is the InChIKey of N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide?
The InChIKey is FOVJKPJBSUCHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O4/c1-29-12-13-30-21-11-10-17(14-20(21)24)23(28)26-19-9-5-8-18(15-19)25-22(27)16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide?
N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide has a molecular weight of 469.34 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17234914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).