4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide

C16H18BrNO — CID 103855353

IUPAC4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
SMILESCc1cc(C(=O)NC2C3C4CCC(C4)C23)ccc1Br
InChIInChI=1S/C16H18BrNO/c1-8-6-11(4-5-12(8)17)16(19)18-15-13-9-2-3-10(7-9)14(13)15/h4-6,9-10,13-15H,2-3,7H2,1H3,(H,18,19)
InChIKeyFYPYWBQETDEQNI-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.53
Rot. Bonds2

About 4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide

4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide (PubChem CID 103855353) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
PubChem CID103855353
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
SMILESCc1cc(C(=O)NC2C3C4CCC(C4)C23)ccc1Br
InChIInChI=1S/C16H18BrNO/c1-8-6-11(4-5-12(8)17)16(19)18-15-13-9-2-3-10(7-9)14(13)15/h4-6,9-10,13-15H,2-3,7H2,1H3,(H,18,19)
InChIKeyFYPYWBQETDEQNI-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751
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CID 54252935
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767220
4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 115868342
4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
CID 103888174
3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767177
3-bromo-5-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 114096125
4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide
CID 113339251
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide (CID 103855353) is 4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide is Cc1cc(C(=O)NC2C3C4CCC(C4)C23)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide?
The InChIKey is FYPYWBQETDEQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-8-6-11(4-5-12(8)17)16(19)18-15-13-9-2-3-10(7-9)14(13)15/h4-6,9-10,13-15H,2-3,7H2,1H3,(H,18,19).
What are the key properties of 4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide?
4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide has a molecular weight of 320.23 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide is sourced from PubChem (CID 103855353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).