5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide

C26H28BrNO3 — CID 17131495

IUPAC5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C26H28BrNO3/c1-2-3-17-30-24-16-15-21(27)19-22(24)26(29)28-23-13-7-8-14-25(23)31-18-9-12-20-10-5-4-6-11-20/h4-8,10-11,13-16,19H,2-3,9,12,17-18H2,1H3,(H,28,29)
InChIKeyNIHWMIXWUVJBRY-UHFFFAOYSA-N
MW482.42 g/mol
LogP6.89
Rot. Bonds11

About 5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide

5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide (PubChem CID 17131495) has the molecular formula C26H28BrNO3 and a molecular weight of 482.42 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
PubChem CID17131495
Molecular FormulaC26H28BrNO3
Molecular Weight482.42 g/mol
Exact Mass481.13
IUPAC Name5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
SMILESCCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C26H28BrNO3/c1-2-3-17-30-24-16-15-21(27)19-22(24)26(29)28-23-13-7-8-14-25(23)31-18-9-12-20-10-5-4-6-11-20/h4-8,10-11,13-16,19H,2-3,9,12,17-18H2,1H3,(H,28,29)
InChIKeyNIHWMIXWUVJBRY-UHFFFAOYSA-N
XLogP6.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.42
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131458
5-bromo-2-(2-phenylethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17131629
5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 17350208
5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide
CID 17350057
5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide
CID 17046174
5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide
CID 17350009
5-bromo-2-butoxy-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17133425
3-bromo-N-[2-(3-phenylpropoxy)phenyl]-4-propoxybenzamide
CID 17131493
5-bromo-2-hexoxy-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17093697
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17094328
5-bromo-2-butoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17350044

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide?
The IUPAC name of 5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide (CID 17131495) is 5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide is CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide?
The InChIKey is NIHWMIXWUVJBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrNO3/c1-2-3-17-30-24-16-15-21(27)19-22(24)26(29)28-23-13-7-8-14-25(23)31-18-9-12-20-10-5-4-6-11-20/h4-8,10-11,13-16,19H,2-3,9,12,17-18H2,1H3,(H,28,29).
What are the key properties of 5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide?
5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide has a molecular weight of 482.42 g/mol, XLogP of 6.89, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17131495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).