2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide

C17H21Br2NO — CID 114372423

IUPAC2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C17H21Br2NO/c1-16(2)10-6-7-17(3,9-10)15(16)20-14(21)12-8-11(18)4-5-13(12)19/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,20,21)
InChIKeyWYYFBYZAHCHJJX-UHFFFAOYSA-N
MW415.17 g/mol
LogP5.16
Rot. Bonds2

About 2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide

2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide (PubChem CID 114372423) has the molecular formula C17H21Br2NO and a molecular weight of 415.17 g/mol. Its IUPAC name is 2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
PubChem CID114372423
Molecular FormulaC17H21Br2NO
Molecular Weight415.17 g/mol
Exact Mass413.00
IUPAC Name2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C17H21Br2NO/c1-16(2)10-6-7-17(3,9-10)15(16)20-14(21)12-8-11(18)4-5-13(12)19/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,20,21)
InChIKeyWYYFBYZAHCHJJX-UHFFFAOYSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.17
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-sulfanyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 107030768
3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide
CID 107519043
2-bromo-3,4,5-trimethoxy-N-[(1R,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 98588244
4-bromo-3-pyrrolidin-1-ylsulfonyl-N-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 71153977
4-bromo-3-pyrrolidin-1-ylsulfonyl-N-[(1S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 58624458
3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide
CID 105070330
2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629951
3-[benzyl(methyl)sulfamoyl]-4-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 11577220
3-[benzyl(methyl)sulfamoyl]-4-bromo-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 143218564
(1R,4S)-N-(4-bromo-2-methylphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400266
3-nitro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 2802653
(1R,4S)-N-(3-bromophenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 113302678

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide (CID 114372423) is 2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide is CC12CCC(C1)C(C)(C)C2NC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The InChIKey is WYYFBYZAHCHJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Br2NO/c1-16(2)10-6-7-17(3,9-10)15(16)20-14(21)12-8-11(18)4-5-13(12)19/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,20,21).
What are the key properties of 2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide has a molecular weight of 415.17 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide is sourced from PubChem (CID 114372423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).