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

C14H17Br2NO — CID 106366494

IUPAC3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NC2CCCC2CBr)c1
InChIInChI=1S/C14H17Br2NO/c1-9-5-11(7-12(16)6-9)14(18)17-13-4-2-3-10(13)8-15/h5-7,10,13H,2-4,8H2,1H3,(H,17,18)
InChIKeyANIKXAWGGPTNLQ-UHFFFAOYSA-N
MW375.10 g/mol
LogP4.05
Rot. Bonds3

About 3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide

3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide (PubChem CID 106366494) has the molecular formula C14H17Br2NO and a molecular weight of 375.10 g/mol. Its IUPAC name is 3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide
PubChem CID106366494
Molecular FormulaC14H17Br2NO
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC Name3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NC2CCCC2CBr)c1
InChIInChI=1S/C14H17Br2NO/c1-9-5-11(7-12(16)6-9)14(18)17-13-4-2-3-10(13)8-15/h5-7,10,13H,2-4,8H2,1H3,(H,17,18)
InChIKeyANIKXAWGGPTNLQ-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

3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide
CID 99636900
3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103909256
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608
1-N,3-N,5-N-tris(2,3-diethylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67992247
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
CID 113265788
3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide
CID 99606496
5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide
CID 106367206
N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179456
N-[2-(bromomethyl)cyclohexyl]-4-chloro-3-methylbenzamide
CID 114179693
3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide
CID 113460730

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide (CID 106366494) is 3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide is Cc1cc(Br)cc(C(=O)NC2CCCC2CBr)c1.
What is the InChIKey of 3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide?
The InChIKey is ANIKXAWGGPTNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO/c1-9-5-11(7-12(16)6-9)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 3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide?
3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-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 3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide is sourced from PubChem (CID 106366494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).