4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide

C15H19Br2NO — CID 102638460

IUPAC4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide
SMILESCc1cc(Br)ccc1C(=O)N(C)C1CCCCC1Br
InChIInChI=1S/C15H19Br2NO/c1-10-9-11(16)7-8-12(10)15(19)18(2)14-6-4-3-5-13(14)17/h7-9,13-14H,3-6H2,1-2H3
InChIKeyMUJGCLNZBIXCJA-UHFFFAOYSA-N
MW389.13 g/mol
LogP4.54
Rot. Bonds2

About 4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide

4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide (PubChem CID 102638460) has the molecular formula C15H19Br2NO and a molecular weight of 389.13 g/mol. Its IUPAC name is 4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide
PubChem CID102638460
Molecular FormulaC15H19Br2NO
Molecular Weight389.13 g/mol
Exact Mass386.98
IUPAC Name4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide
SMILESCc1cc(Br)ccc1C(=O)N(C)C1CCCCC1Br
InChIInChI=1S/C15H19Br2NO/c1-10-9-11(16)7-8-12(10)15(19)18(2)14-6-4-3-5-13(14)17/h7-9,13-14H,3-6H2,1-2H3
InChIKeyMUJGCLNZBIXCJA-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.13
LogP ≤ 54.54
H-Bond Donors ≤ 50
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)-2,4-dimethoxy-N-methylbenzamide
CID 102638374
N-(azepan-4-yl)-4-bromo-N,2-dimethylbenzamide
CID 104974736
4-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102631843
N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide
CID 102638355
N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide
CID 102638491
4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide
CID 113275078
4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395123
N-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
CID 102638299
4-bromo-N-(2-bromoethyl)-N-cyclohexyl-2-methylbenzamide
CID 80658918
N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide
CID 114103998
4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608037
N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 114039940

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide?
The IUPAC name of 4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide (CID 102638460) is 4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide?
The canonical SMILES for 4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide is Cc1cc(Br)ccc1C(=O)N(C)C1CCCCC1Br.
What is the InChIKey of 4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide?
The InChIKey is MUJGCLNZBIXCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO/c1-10-9-11(16)7-8-12(10)15(19)18(2)14-6-4-3-5-13(14)17/h7-9,13-14H,3-6H2,1-2H3.
What are the key properties of 4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide?
4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide has a molecular weight of 389.13 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 102638460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).