2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide

C16H22BrNO — CID 81109910

IUPAC2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide
SMILESCc1ccc(Br)c(C(=O)NC2CCCCCC2C)c1
InChIInChI=1S/C16H22BrNO/c1-11-8-9-14(17)13(10-11)16(19)18-15-7-5-3-4-6-12(15)2/h8-10,12,15H,3-7H2,1-2H3,(H,18,19)
InChIKeyCWVXBGSDNJBDKN-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.46
Rot. Bonds2

About 2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide

2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide (PubChem CID 81109910) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide
PubChem CID81109910
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide
SMILESCc1ccc(Br)c(C(=O)NC2CCCCCC2C)c1
InChIInChI=1S/C16H22BrNO/c1-11-8-9-14(17)13(10-11)16(19)18-15-7-5-3-4-6-12(15)2/h8-10,12,15H,3-7H2,1-2H3,(H,18,19)
InChIKeyCWVXBGSDNJBDKN-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 55171474
4-bromo-N-(2-methylcycloheptyl)-2-sulfanylbenzamide
CID 107031479
2,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 3184547
4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide
CID 63524339
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 81112587
2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide
CID 81002782
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
2,4-dihydroxy-N-(2-methylcycloheptyl)benzamide
CID 103714355
3-hydroxy-2-methyl-N-(2-methylcycloheptyl)benzamide
CID 82829354
3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide
CID 114020017

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide?
The IUPAC name of 2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide (CID 81109910) is 2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide is Cc1ccc(Br)c(C(=O)NC2CCCCCC2C)c1.
What is the InChIKey of 2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide?
The InChIKey is CWVXBGSDNJBDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-11-8-9-14(17)13(10-11)16(19)18-15-7-5-3-4-6-12(15)2/h8-10,12,15H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide?
2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide has a molecular weight of 324.26 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide is sourced from PubChem (CID 81109910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).