5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide

C20H24BrNO3 — CID 17051555

IUPAC5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide
SMILESCC(C)COc1ccc(NC(=O)c2cc(Br)ccc2OC(C)C)cc1
InChIInChI=1S/C20H24BrNO3/c1-13(2)12-24-17-8-6-16(7-9-17)22-20(23)18-11-15(21)5-10-19(18)25-14(3)4/h5-11,13-14H,12H2,1-4H3,(H,22,23)
InChIKeyOXKONQPADWWUAQ-UHFFFAOYSA-N
MW406.32 g/mol
LogP5.52
Rot. Bonds7

About 5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide

5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide (PubChem CID 17051555) has the molecular formula C20H24BrNO3 and a molecular weight of 406.32 g/mol. Its IUPAC name is 5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide
PubChem CID17051555
Molecular FormulaC20H24BrNO3
Molecular Weight406.32 g/mol
Exact Mass405.09
IUPAC Name5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide
SMILESCC(C)COc1ccc(NC(=O)c2cc(Br)ccc2OC(C)C)cc1
InChIInChI=1S/C20H24BrNO3/c1-13(2)12-24-17-8-6-16(7-9-17)22-20(23)18-11-15(21)5-10-19(18)25-14(3)4/h5-11,13-14H,12H2,1-4H3,(H,22,23)
InChIKeyOXKONQPADWWUAQ-UHFFFAOYSA-N
XLogP5.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.32
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-(3-methylbutoxy)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050851
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
5-bromo-2-(2-methylpropoxy)-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157667
5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350835
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide
CID 60579665
5-bromo-N-[(4-heptoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17052081
5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 17050839
2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide
CID 114370108
5-bromo-N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-propan-2-yloxybenzamide
CID 17231426
5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17046227
5-bromo-N'-[2-(4-methylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051707
N-[4-[[[5-bromo-2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenyl]acetamide
CID 17050985

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide (CID 17051555) is 5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide is CC(C)COc1ccc(NC(=O)c2cc(Br)ccc2OC(C)C)cc1.
What is the InChIKey of 5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide?
The InChIKey is OXKONQPADWWUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO3/c1-13(2)12-24-17-8-6-16(7-9-17)22-20(23)18-11-15(21)5-10-19(18)25-14(3)4/h5-11,13-14H,12H2,1-4H3,(H,22,23).
What are the key properties of 5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide?
5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide has a molecular weight of 406.32 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17051555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).