5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide

C14H17Br2NO — CID 106366608

IUPAC5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC1CCCC1CBr
InChIInChI=1S/C14H17Br2NO/c1-9-5-6-11(16)7-12(9)14(18)17-13-4-2-3-10(13)8-15/h5-7,10,13H,2-4,8H2,1H3,(H,17,18)
InChIKeyMCUNSBAZOHWZAD-UHFFFAOYSA-N
MW375.10 g/mol
LogP4.05
Rot. Bonds3

About 5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide

5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide (PubChem CID 106366608) has the molecular formula C14H17Br2NO and a molecular weight of 375.10 g/mol. Its IUPAC name is 5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
PubChem CID106366608
Molecular FormulaC14H17Br2NO
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC Name5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC1CCCC1CBr
InChIInChI=1S/C14H17Br2NO/c1-9-5-6-11(16)7-12(9)14(18)17-13-4-2-3-10(13)8-15/h5-7,10,13H,2-4,8H2,1H3,(H,17,18)
InChIKeyMCUNSBAZOHWZAD-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.10
LogP ≤ 54.05
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

5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674
N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide
CID 65312155
5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395138
4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide
CID 106367431
2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
CID 106366480
N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide
CID 106366208
N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 114179537
3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide
CID 106366494
N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 114179479
N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
CID 106366538
N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide
CID 106366292

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide?
The IUPAC name of 5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide (CID 106366608) is 5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NC1CCCC1CBr.
What is the InChIKey of 5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide?
The InChIKey is MCUNSBAZOHWZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO/c1-9-5-6-11(16)7-12(9)14(18)17-13-4-2-3-10(13)8-15/h5-7,10,13H,2-4,8H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide?
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide has a molecular weight of 375.10 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide is sourced from PubChem (CID 106366608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).