5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide

C17H17Br2NO2 — CID 54784461

IUPAC5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide
SMILESCc1ccc(NC(=O)c2cc(Br)ccc2OC(C)C)c(Br)c1
InChIInChI=1S/C17H17Br2NO2/c1-10(2)22-16-7-5-12(18)9-13(16)17(21)20-15-6-4-11(3)8-14(15)19/h4-10H,1-3H3,(H,20,21)
InChIKeyKNUSGQGSIWEPNY-UHFFFAOYSA-N
MW427.14 g/mol
LogP5.56
Rot. Bonds4

About 5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide

5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide (PubChem CID 54784461) has the molecular formula C17H17Br2NO2 and a molecular weight of 427.14 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide
PubChem CID54784461
Molecular FormulaC17H17Br2NO2
Molecular Weight427.14 g/mol
Exact Mass424.96
IUPAC Name5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide
SMILESCc1ccc(NC(=O)c2cc(Br)ccc2OC(C)C)c(Br)c1
InChIInChI=1S/C17H17Br2NO2/c1-10(2)22-16-7-5-12(18)9-13(16)17(21)20-15-6-4-11(3)8-14(15)19/h4-10H,1-3H3,(H,20,21)
InChIKeyKNUSGQGSIWEPNY-UHFFFAOYSA-N
XLogP5.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.14
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzamide
CID 17051536
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 26164799
N-(3-acetamido-4-methylphenyl)-5-bromo-2-propan-2-yloxybenzamide
CID 54777470
5-bromo-N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 54784785
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992103
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide
CID 17355169
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414
2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide
CID 103885259
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide?
The IUPAC name of 5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide (CID 54784461) is 5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide is Cc1ccc(NC(=O)c2cc(Br)ccc2OC(C)C)c(Br)c1.
What is the InChIKey of 5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide?
The InChIKey is KNUSGQGSIWEPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO2/c1-10(2)22-16-7-5-12(18)9-13(16)17(21)20-15-6-4-11(3)8-14(15)19/h4-10H,1-3H3,(H,20,21).
What are the key properties of 5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide?
5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide has a molecular weight of 427.14 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide is sourced from PubChem (CID 54784461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).