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

C14H17Br2NO — CID 113275078

IUPAC4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NC1CCCCC1Br
InChIInChI=1S/C14H17Br2NO/c1-9-8-10(15)6-7-11(9)14(18)17-13-5-3-2-4-12(13)16/h6-8,12-13H,2-5H2,1H3,(H,17,18)
InChIKeyQKRARSYIZBJKEV-UHFFFAOYSA-N
MW375.10 g/mol
LogP4.19
Rot. Bonds2

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

4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide (PubChem CID 113275078) has the molecular formula C14H17Br2NO and a molecular weight of 375.10 g/mol. Its IUPAC name is 4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide
PubChem CID113275078
Molecular FormulaC14H17Br2NO
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC Name4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NC1CCCCC1Br
InChIInChI=1S/C14H17Br2NO/c1-9-8-10(15)6-7-11(9)14(18)17-13-5-3-2-4-12(13)16/h6-8,12-13H,2-5H2,1H3,(H,17,18)
InChIKeyQKRARSYIZBJKEV-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.10
LogP ≤ 54.19
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-bromocycloheptyl)-2-methylbenzamide
CID 113395123
5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395138
4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
CID 113272606
4-bromo-N-(2-chlorocycloheptyl)-2-methylbenzamide
CID 113395058
4-bromo-2-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]benzamide
CID 66681471
3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide
CID 113395139
N-(2-bromocyclopentyl)-2,5-dimethylbenzamide
CID 80662221
6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide
CID 115354131
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide
CID 114312067
N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
CID 113275063
4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 120554553

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide?
The IUPAC name of 4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide (CID 113275078) is 4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)NC1CCCCC1Br.
What is the InChIKey of 4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide?
The InChIKey is QKRARSYIZBJKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO/c1-9-8-10(15)6-7-11(9)14(18)17-13-5-3-2-4-12(13)16/h6-8,12-13H,2-5H2,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide?
4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide has a molecular weight of 375.10 g/mol, XLogP of 4.19, 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-bromocyclohexyl)-2-methylbenzamide is sourced from PubChem (CID 113275078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).