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

C21H26BrNO4 — CID 17350835

IUPAC5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
SMILESCOCCOc1ccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1
InChIInChI=1S/C21H26BrNO4/c1-15(2)10-11-27-20-9-4-16(22)14-19(20)21(24)23-17-5-7-18(8-6-17)26-13-12-25-3/h4-9,14-15H,10-13H2,1-3H3,(H,23,24)
InChIKeyOGPZAVFBLFKZDP-UHFFFAOYSA-N
MW436.35 g/mol
LogP5.15
Rot. Bonds10

About 5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide

5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide (PubChem CID 17350835) has the molecular formula C21H26BrNO4 and a molecular weight of 436.35 g/mol. Its IUPAC name is 5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
PubChem CID17350835
Molecular FormulaC21H26BrNO4
Molecular Weight436.35 g/mol
Exact Mass435.10
IUPAC Name5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
SMILESCOCCOc1ccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1
InChIInChI=1S/C21H26BrNO4/c1-15(2)10-11-27-20-9-4-16(22)14-19(20)21(24)23-17-5-7-18(8-6-17)26-13-12-25-3/h4-9,14-15H,10-13H2,1-3H3,(H,23,24)
InChIKeyOGPZAVFBLFKZDP-UHFFFAOYSA-N
XLogP5.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.35
LogP ≤ 55.15
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

5-bromo-N-[4-(3-methylbutoxy)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050851
5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17169902
5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
CID 17350689
5-bromo-N-(4-cyanophenyl)-2-(3-methylbutoxy)benzamide
CID 17350704
N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide
CID 17350697
N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
CID 17357157
5-bromo-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-(3-methylbutoxy)benzamide
CID 17235080
5-bromo-N-[(4-hexoxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17351133
5-bromo-N-[(4-heptoxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17351139
5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097726
5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154784
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide?
The IUPAC name of 5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide (CID 17350835) is 5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide?
The canonical SMILES for 5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide is COCCOc1ccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1.
What is the InChIKey of 5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide?
The InChIKey is OGPZAVFBLFKZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO4/c1-15(2)10-11-27-20-9-4-16(22)14-19(20)21(24)23-17-5-7-18(8-6-17)26-13-12-25-3/h4-9,14-15H,10-13H2,1-3H3,(H,23,24).
What are the key properties of 5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide?
5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide has a molecular weight of 436.35 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide is sourced from PubChem (CID 17350835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).