N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide

C13H14BrCl2NO — CID 114311325

IUPACN-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide
SMILESO=C(NC1(CBr)CCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14BrCl2NO/c14-8-13(5-1-2-6-13)17-12(18)10-7-9(15)3-4-11(10)16/h3-4,7H,1-2,5-6,8H2,(H,17,18)
InChIKeyHDAGAOQWTHJAJL-UHFFFAOYSA-N
MW351.07 g/mol
LogP4.43
Rot. Bonds3

About N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide

N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide (PubChem CID 114311325) has the molecular formula C13H14BrCl2NO and a molecular weight of 351.07 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide
PubChem CID114311325
Molecular FormulaC13H14BrCl2NO
Molecular Weight351.07 g/mol
Exact Mass348.96
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide
SMILESO=C(NC1(CBr)CCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14BrCl2NO/c14-8-13(5-1-2-6-13)17-12(18)10-7-9(15)3-4-11(10)16/h3-4,7H,1-2,5-6,8H2,(H,17,18)
InChIKeyHDAGAOQWTHJAJL-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.07
LogP ≤ 54.43
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

N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82890509
N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide
CID 82773291
N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide
CID 107993984
4-bromo-N-[1-(bromomethyl)cyclohexyl]-2-chlorobenzamide
CID 113275517
5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide
CID 82891196
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide
CID 113275490
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
N-(1-carbamoylcyclohexyl)-2,5-dichlorobenzamide
CID 78903583
N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
CID 119567613

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide (CID 114311325) is N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide is O=C(NC1(CBr)CCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide?
The InChIKey is HDAGAOQWTHJAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrCl2NO/c14-8-13(5-1-2-6-13)17-12(18)10-7-9(15)3-4-11(10)16/h3-4,7H,1-2,5-6,8H2,(H,17,18).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide?
N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide has a molecular weight of 351.07 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide is sourced from PubChem (CID 114311325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).