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

C15H19Br2NO — CID 113395123

IUPAC4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NC1CCCCCC1Br
InChIInChI=1S/C15H19Br2NO/c1-10-9-11(16)7-8-12(10)15(19)18-14-6-4-2-3-5-13(14)17/h7-9,13-14H,2-6H2,1H3,(H,18,19)
InChIKeyFCANMLNZGBFNFD-UHFFFAOYSA-N
MW389.13 g/mol
LogP4.58
Rot. Bonds2

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

4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide (PubChem CID 113395123) has the molecular formula C15H19Br2NO and a molecular weight of 389.13 g/mol. Its IUPAC name is 4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
PubChem CID113395123
Molecular FormulaC15H19Br2NO
Molecular Weight389.13 g/mol
Exact Mass386.98
IUPAC Name4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NC1CCCCCC1Br
InChIInChI=1S/C15H19Br2NO/c1-10-9-11(16)7-8-12(10)15(19)18-14-6-4-2-3-5-13(14)17/h7-9,13-14H,2-6H2,1H3,(H,18,19)
InChIKeyFCANMLNZGBFNFD-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

4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide
CID 113275078
5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395138
4-bromo-N-(2-chlorocycloheptyl)-2-methylbenzamide
CID 113395058
4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
CID 113272606
3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide
CID 113395139
4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide
CID 66681471
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide
CID 115354131
N-(2-bromocyclopentyl)-2,5-dimethylbenzamide
CID 80662221
N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide
CID 65312155
N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide
CID 114312067
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide?
The IUPAC name of 4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide (CID 113395123) is 4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)NC1CCCCCC1Br.
What is the InChIKey of 4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide?
The InChIKey is FCANMLNZGBFNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO/c1-10-9-11(16)7-8-12(10)15(19)18-14-6-4-2-3-5-13(14)17/h7-9,13-14H,2-6H2,1H3,(H,18,19).
What are the key properties of 4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide?
4-bromo-N-(2-bromocycloheptyl)-2-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 4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide is sourced from PubChem (CID 113395123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).