5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide

C21H26BrNO3 — CID 17154784

IUPAC5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide
SMILESCC(C)CCOc1ccc(Br)cc1C(=O)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C21H26BrNO3/c1-14(2)10-11-25-20-9-8-16(22)12-19(20)21(24)23-17-6-5-7-18(13-17)26-15(3)4/h5-9,12-15H,10-11H2,1-4H3,(H,23,24)
InChIKeyRKZSPEQNBDPLRB-UHFFFAOYSA-N
MW420.35 g/mol
LogP5.91
Rot. Bonds8

About 5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide

5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide (PubChem CID 17154784) has the molecular formula C21H26BrNO3 and a molecular weight of 420.35 g/mol. Its IUPAC name is 5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide
PubChem CID17154784
Molecular FormulaC21H26BrNO3
Molecular Weight420.35 g/mol
Exact Mass419.11
IUPAC Name5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide
SMILESCC(C)CCOc1ccc(Br)cc1C(=O)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C21H26BrNO3/c1-14(2)10-11-25-20-9-8-16(22)12-19(20)21(24)23-17-6-5-7-18(13-17)26-15(3)4/h5-9,12-15H,10-11H2,1-4H3,(H,23,24)
InChIKeyRKZSPEQNBDPLRB-UHFFFAOYSA-N
XLogP5.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.35
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide
CID 17350678
5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide
CID 17350713
5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350835
5-bromo-2-butoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154919
5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096800
5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide
CID 26160308
5-bromo-2-ethoxy-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide
CID 17097441
N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide
CID 17350697
5-bromo-2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154923
5-bromo-N-[4-(3-methylbutoxy)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050851

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide (CID 17154784) is 5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide is CC(C)CCOc1ccc(Br)cc1C(=O)Nc1cccc(OC(C)C)c1.
What is the InChIKey of 5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide?
The InChIKey is RKZSPEQNBDPLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO3/c1-14(2)10-11-25-20-9-8-16(22)12-19(20)21(24)23-17-6-5-7-18(13-17)26-15(3)4/h5-9,12-15H,10-11H2,1-4H3,(H,23,24).
What are the key properties of 5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide?
5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide has a molecular weight of 420.35 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 17154784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).