2-bromo-N-[1-(4,9-dimethyl-1-bicyclo[5.3.1]undecanyl)ethyl]benzamide

C22H32BrNO — CID 23994485

IUPAC2-bromo-N-[1-(4,9-dimethyl-1-bicyclo[5.3.1]undecanyl)ethyl]benzamide
SMILESCC1CCC2CC(C)CC(C(C)NC(=O)c3ccccc3Br)(CC1)C2
InChIInChI=1S/C22H32BrNO/c1-15-8-9-18-12-16(2)13-22(14-18,11-10-15)17(3)24-21(25)19-6-4-5-7-20(19)23/h4-7,15-18H,8-14H2,1-3H3,(H,24,25)
InChIKeyVFCAWPRRSWFJHY-UHFFFAOYSA-N
MW406.41 g/mol
LogP6.20
Rot. Bonds3

About 2-bromo-N-[1-(4,9-dimethyl-1-bicyclo[5.3.1]undecanyl)ethyl]benzamide

2-bromo-N-[1-(4,9-dimethyl-1-bicyclo[5.3.1]undecanyl)ethyl]benzamide (PubChem CID 23994485) has the molecular formula C22H32BrNO and a molecular weight of 406.41 g/mol. Its IUPAC name is 2-bromo-N-[1-(4,9-dimethyl-1-bicyclo[5.3.1]undecanyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4,9-dimethyl-1-bicyclo[5.3.1]undecanyl)ethyl]benzamide
PubChem CID23994485
Molecular FormulaC22H32BrNO
Molecular Weight406.41 g/mol
Exact Mass405.17
IUPAC Name2-bromo-N-[1-(4,9-dimethyl-1-bicyclo[5.3.1]undecanyl)ethyl]benzamide
SMILESCC1CCC2CC(C)CC(C(C)NC(=O)c3ccccc3Br)(CC1)C2
InChIInChI=1S/C22H32BrNO/c1-15-8-9-18-12-16(2)13-22(14-18,11-10-15)17(3)24-21(25)19-6-4-5-7-20(19)23/h4-7,15-18H,8-14H2,1-3H3,(H,24,25)
InChIKeyVFCAWPRRSWFJHY-UHFFFAOYSA-N
XLogP6.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(1R)-1-(1-adamantyl)ethyl]-2,3-dimethylbenzamide
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N-[(1S)-1-(1-adamantyl)ethyl]-2-(methanesulfonamido)benzamide
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N-[[(1S)-1-(1-adamantyl)ethyl]carbamothioyl]-5-bromonaphthalene-1-carboxamide
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2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992853
N-[1-(1-adamantyl)ethyl]-2,4-dimethylbenzamide
CID 3647377
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CID 7371510
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4,9-dimethyl-1-bicyclo[5.3.1]undecanyl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[1-(4,9-dimethyl-1-bicyclo[5.3.1]undecanyl)ethyl]benzamide (CID 23994485) is 2-bromo-N-[1-(4,9-dimethyl-1-bicyclo[5.3.1]undecanyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-(4,9-dimethyl-1-bicyclo[5.3.1]undecanyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[1-(4,9-dimethyl-1-bicyclo[5.3.1]undecanyl)ethyl]benzamide is CC1CCC2CC(C)CC(C(C)NC(=O)c3ccccc3Br)(CC1)C2.
What is the InChIKey of 2-bromo-N-[1-(4,9-dimethyl-1-bicyclo[5.3.1]undecanyl)ethyl]benzamide?
The InChIKey is VFCAWPRRSWFJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32BrNO/c1-15-8-9-18-12-16(2)13-22(14-18,11-10-15)17(3)24-21(25)19-6-4-5-7-20(19)23/h4-7,15-18H,8-14H2,1-3H3,(H,24,25).
What are the key properties of 2-bromo-N-[1-(4,9-dimethyl-1-bicyclo[5.3.1]undecanyl)ethyl]benzamide?
2-bromo-N-[1-(4,9-dimethyl-1-bicyclo[5.3.1]undecanyl)ethyl]benzamide has a molecular weight of 406.41 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4,9-dimethyl-1-bicyclo[5.3.1]undecanyl)ethyl]benzamide is sourced from PubChem (CID 23994485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).