3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide

C15H19Br2NO — CID 113395139

IUPAC3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCCC2Br)cc1Br
InChIInChI=1S/C15H19Br2NO/c1-10-7-8-11(9-13(10)17)15(19)18-14-6-4-2-3-5-12(14)16/h7-9,12,14H,2-6H2,1H3,(H,18,19)
InChIKeyFNSUBCHSQVLYJI-UHFFFAOYSA-N
MW389.13 g/mol
LogP4.58
Rot. Bonds2

About 3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide

3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide (PubChem CID 113395139) has the molecular formula C15H19Br2NO and a molecular weight of 389.13 g/mol. Its IUPAC name is 3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide
PubChem CID113395139
Molecular FormulaC15H19Br2NO
Molecular Weight389.13 g/mol
Exact Mass386.98
IUPAC Name3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCCC2Br)cc1Br
InChIInChI=1S/C15H19Br2NO/c1-10-7-8-11(9-13(10)17)15(19)18-14-6-4-2-3-5-12(14)16/h7-9,12,14H,2-6H2,1H3,(H,18,19)
InChIKeyFNSUBCHSQVLYJI-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.13
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
CID 113275063
4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395123
5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395138
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide
CID 113275078
4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751
3-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
CID 79464819
6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide
CID 115354131
3-bromo-N-(2,2-dimethylcyclopropyl)-4-methylbenzamide
CID 79466662
N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide
CID 107706124
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-bromo-4-methylbenzamide
CID 81472016

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide (CID 113395139) is 3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCCCC2Br)cc1Br.
What is the InChIKey of 3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide?
The InChIKey is FNSUBCHSQVLYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO/c1-10-7-8-11(9-13(10)17)15(19)18-14-6-4-2-3-5-12(14)16/h7-9,12,14H,2-6H2,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide?
3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide has a molecular weight of 389.13 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide is sourced from PubChem (CID 113395139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).