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

C23H30BrNO3 — CID 17339461

IUPAC3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide
SMILESCC(C)CCOc1ccc(NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1
InChIInChI=1S/C23H30BrNO3/c1-16(2)11-13-27-20-8-6-19(7-9-20)25-23(26)18-5-10-22(21(24)15-18)28-14-12-17(3)4/h5-10,15-17H,11-14H2,1-4H3,(H,25,26)
InChIKeyPIIIXVKANDNCBV-UHFFFAOYSA-N
MW448.40 g/mol
LogP6.55
Rot. Bonds10

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

3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide (PubChem CID 17339461) has the molecular formula C23H30BrNO3 and a molecular weight of 448.40 g/mol. Its IUPAC name is 3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide
PubChem CID17339461
Molecular FormulaC23H30BrNO3
Molecular Weight448.40 g/mol
Exact Mass447.14
IUPAC Name3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide
SMILESCC(C)CCOc1ccc(NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1
InChIInChI=1S/C23H30BrNO3/c1-16(2)11-13-27-20-8-6-19(7-9-20)25-23(26)18-5-10-22(21(24)15-18)28-14-12-17(3)4/h5-10,15-17H,11-14H2,1-4H3,(H,25,26)
InChIKeyPIIIXVKANDNCBV-UHFFFAOYSA-N
XLogP6.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.40
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide
CID 17339332
3-bromo-N-[4-(3-methylbutoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17067243
3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 17339336
3-bromo-4-(3-methylbutoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097335
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
3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571
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-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17351718
N-(3-acetamido-4-methylphenyl)-3-bromo-4-(3-methylbutoxy)benzamide
CID 54777517
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide?
The IUPAC name of 3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide (CID 17339461) is 3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide is CC(C)CCOc1ccc(NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide?
The InChIKey is PIIIXVKANDNCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrNO3/c1-16(2)11-13-27-20-8-6-19(7-9-20)25-23(26)18-5-10-22(21(24)15-18)28-14-12-17(3)4/h5-10,15-17H,11-14H2,1-4H3,(H,25,26).
What are the key properties of 3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide?
3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide has a molecular weight of 448.40 g/mol, XLogP of 6.55, 10 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-(3-methylbutoxy)phenyl]benzamide is sourced from PubChem (CID 17339461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).