4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide

C15H20BrNOS — CID 114115857

IUPAC4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide
SMILESCSC1(CNC(=O)c2ccc(CBr)cc2)CCCC1
InChIInChI=1S/C15H20BrNOS/c1-19-15(8-2-3-9-15)11-17-14(18)13-6-4-12(10-16)5-7-13/h4-7H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyATAPHSZSHNNEJY-UHFFFAOYSA-N
MW342.30 g/mol
LogP3.99
Rot. Bonds5

About 4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide

4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide (PubChem CID 114115857) has the molecular formula C15H20BrNOS and a molecular weight of 342.30 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide
PubChem CID114115857
Molecular FormulaC15H20BrNOS
Molecular Weight342.30 g/mol
Exact Mass341.04
IUPAC Name4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide
SMILESCSC1(CNC(=O)c2ccc(CBr)cc2)CCCC1
InChIInChI=1S/C15H20BrNOS/c1-19-15(8-2-3-9-15)11-17-14(18)13-6-4-12(10-16)5-7-13/h4-7H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyATAPHSZSHNNEJY-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
CID 114115852
4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 114115971
N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 114117445
4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 114112849
4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 102851764
N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide
CID 107271586
2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide
CID 114115942
1-[[[4-(methylsulfanylmethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432933
5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide
CID 107271657
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide
CID 119323030
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride
CID 119323029
5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid
CID 114117425

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide (CID 114115857) is 4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide is CSC1(CNC(=O)c2ccc(CBr)cc2)CCCC1.
What is the InChIKey of 4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide?
The InChIKey is ATAPHSZSHNNEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNOS/c1-19-15(8-2-3-9-15)11-17-14(18)13-6-4-12(10-16)5-7-13/h4-7H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of 4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide?
4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide has a molecular weight of 342.30 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 114115857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).