3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide

C24H24BrNO3 — CID 17339336

IUPAC3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Br
InChIInChI=1S/C24H24BrNO3/c1-17(2)14-15-28-23-13-8-18(16-22(23)25)24(27)26-19-9-11-21(12-10-19)29-20-6-4-3-5-7-20/h3-13,16-17H,14-15H2,1-2H3,(H,26,27)
InChIKeyJMYAIPKYDLSTFC-UHFFFAOYSA-N
MW454.36 g/mol
LogP6.92
Rot. Bonds8

About 3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide

3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide (PubChem CID 17339336) has the molecular formula C24H24BrNO3 and a molecular weight of 454.36 g/mol. Its IUPAC name is 3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
PubChem CID17339336
Molecular FormulaC24H24BrNO3
Molecular Weight454.36 g/mol
Exact Mass453.09
IUPAC Name3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Br
InChIInChI=1S/C24H24BrNO3/c1-17(2)14-15-28-23-13-8-18(16-22(23)25)24(27)26-19-9-11-21(12-10-19)29-20-6-4-3-5-7-20/h3-13,16-17H,14-15H2,1-2H3,(H,26,27)
InChIKeyJMYAIPKYDLSTFC-UHFFFAOYSA-N
XLogP6.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 17339461
3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide
CID 17339332
3-bromo-4-(3-methylbutoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097335
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
3-bromo-N-(3-methoxyphenyl)-4-(3-methylbutoxy)benzamide
CID 17339373
3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130966
3-bromo-N-[4-(3-methylbutoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17067243
3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide
CID 17339348
3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17356436
N-(3-acetamido-4-methylphenyl)-3-bromo-4-(3-methylbutoxy)benzamide
CID 54777517
N-(4-anilinophenyl)-3-bromo-4-butoxybenzamide
CID 4955723
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide (CID 17339336) is 3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide is CC(C)CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide?
The InChIKey is JMYAIPKYDLSTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO3/c1-17(2)14-15-28-23-13-8-18(16-22(23)25)24(27)26-19-9-11-21(12-10-19)29-20-6-4-3-5-7-20/h3-13,16-17H,14-15H2,1-2H3,(H,26,27).
What are the key properties of 3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide?
3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide has a molecular weight of 454.36 g/mol, XLogP of 6.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 17339336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).