3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide

C16H15Br2NO2 — CID 82786342

IUPAC3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide
SMILESCC(C)c1cc(Br)ccc1Oc1ccc(C(N)=O)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-9(2)12-8-11(17)4-6-14(12)21-15-5-3-10(16(19)20)7-13(15)18/h3-9H,1-2H3,(H2,19,20)
InChIKeyFRGZIFUVOJNAHO-UHFFFAOYSA-N
MW413.11 g/mol
LogP5.23
Rot. Bonds4

About 3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide

3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide (PubChem CID 82786342) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide.

Molecular Properties

Compound Name3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide
PubChem CID82786342
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide
SMILESCC(C)c1cc(Br)ccc1Oc1ccc(C(N)=O)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-9(2)12-8-11(17)4-6-14(12)21-15-5-3-10(16(19)20)7-13(15)18/h3-9H,1-2H3,(H2,19,20)
InChIKeyFRGZIFUVOJNAHO-UHFFFAOYSA-N
XLogP5.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.11
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115402255
3-amino-4-(2,4-dibromophenoxy)benzamide
CID 64720185
4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115401530
1-[3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanol
CID 115402404
5-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzoic acid
CID 115402590
4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]benzamide
CID 82955481
3-amino-4-(4-bromo-2-chlorophenoxy)benzamide
CID 43448570
(4-bromo-2-propan-2-ylphenyl) 3-bromo-4-methylbenzoate
CID 17188150
4-(4-bromo-2-propan-2-ylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 115402282
3-bromo-4-(3-hydroxy-2-methylphenoxy)benzamide
CID 82800403
2-(4-bromo-2-propan-2-ylphenoxy)-5-methylbenzenecarbothioamide
CID 107929628
3-(4-bromo-2-propan-2-ylphenoxy)propanamide
CID 115401946

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide?
The IUPAC name of 3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide (CID 82786342) is 3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide.
What is the SMILES notation for 3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide?
The canonical SMILES for 3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide is CC(C)c1cc(Br)ccc1Oc1ccc(C(N)=O)cc1Br.
What is the InChIKey of 3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide?
The InChIKey is FRGZIFUVOJNAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-9(2)12-8-11(17)4-6-14(12)21-15-5-3-10(16(19)20)7-13(15)18/h3-9H,1-2H3,(H2,19,20).
What are the key properties of 3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide?
3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide has a molecular weight of 413.11 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide is sourced from PubChem (CID 82786342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).