N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide

C16H19Br2NO — CID 107952430

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide
SMILESCN(CC1CC2CCC1C2)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H19Br2NO/c1-19(9-12-7-10-2-3-11(12)6-10)16(20)14-5-4-13(17)8-15(14)18/h4-5,8,10-12H,2-3,6-7,9H2,1H3
InChIKeySYTREUQNKQTNDM-UHFFFAOYSA-N
MW401.14 g/mol
LogP4.72
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide (PubChem CID 107952430) has the molecular formula C16H19Br2NO and a molecular weight of 401.14 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide
PubChem CID107952430
Molecular FormulaC16H19Br2NO
Molecular Weight401.14 g/mol
Exact Mass398.98
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide
SMILESCN(CC1CC2CCC1C2)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H19Br2NO/c1-19(9-12-7-10-2-3-11(12)6-10)16(20)14-5-4-13(17)8-15(14)18/h4-5,8,10-12H,2-3,6-7,9H2,1H3
InChIKeySYTREUQNKQTNDM-UHFFFAOYSA-N
XLogP4.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.14
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 63682333
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728501
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoro-N-methylbenzamide
CID 107121074
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide
CID 66464343
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide
CID 63682271
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107988270
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide
CID 63688831
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-5-bromo-N'-hydroxybenzenecarboximidamide
CID 114892570
2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide
CID 114025196
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 63686305

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide (CID 107952430) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide is CN(CC1CC2CCC1C2)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide?
The InChIKey is SYTREUQNKQTNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br2NO/c1-19(9-12-7-10-2-3-11(12)6-10)16(20)14-5-4-13(17)8-15(14)18/h4-5,8,10-12H,2-3,6-7,9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide has a molecular weight of 401.14 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide is sourced from PubChem (CID 107952430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).