3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide

C23H22BrNO4 — CID 17123630

IUPAC3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1Br
InChIInChI=1S/C23H22BrNO4/c1-2-27-22-12-11-17(15-21(22)24)23(26)25-18-7-6-10-20(16-18)29-14-13-28-19-8-4-3-5-9-19/h3-12,15-16H,2,13-14H2,1H3,(H,25,26)
InChIKeyYGBDMCRXTRVYLV-UHFFFAOYSA-N
MW456.34 g/mol
LogP5.56
Rot. Bonds9

About 3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide

3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide (PubChem CID 17123630) has the molecular formula C23H22BrNO4 and a molecular weight of 456.34 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
PubChem CID17123630
Molecular FormulaC23H22BrNO4
Molecular Weight456.34 g/mol
Exact Mass455.07
IUPAC Name3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1Br
InChIInChI=1S/C23H22BrNO4/c1-2-27-22-12-11-17(15-21(22)24)23(26)25-18-7-6-10-20(16-18)29-14-13-28-19-8-4-3-5-9-19/h3-12,15-16H,2,13-14H2,1H3,(H,25,26)
InChIKeyYGBDMCRXTRVYLV-UHFFFAOYSA-N
XLogP5.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.34
LogP ≤ 55.56
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

3-bromo-4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123597
3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide
CID 17096782
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
3-bromo-4-(3-methylbutoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097335
3-bromo-4-methoxy-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123662
N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17234914
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
4-bromo-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 54791265
3-bromo-N-(3-butoxyphenyl)-4-propan-2-yloxybenzamide
CID 17095128
3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide
CID 17154780
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
3-bromo-N-(3-methoxyphenyl)-4-(2-phenylethoxy)benzamide
CID 17072702

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide (CID 17123630) is 3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1Br.
What is the InChIKey of 3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
The InChIKey is YGBDMCRXTRVYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO4/c1-2-27-22-12-11-17(15-21(22)24)23(26)25-18-7-6-10-20(16-18)29-14-13-28-19-8-4-3-5-9-19/h3-12,15-16H,2,13-14H2,1H3,(H,25,26).
What are the key properties of 3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide has a molecular weight of 456.34 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 17123630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).