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

C13H14Br2ClNO — CID 106366480

IUPAC2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
SMILESO=C(NC1CCCC1CBr)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H14Br2ClNO/c14-7-8-2-1-3-12(8)17-13(18)10-6-9(16)4-5-11(10)15/h4-6,8,12H,1-3,7H2,(H,17,18)
InChIKeyPZUODJRGNRQOAM-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.40
Rot. Bonds3

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

2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide (PubChem CID 106366480) has the molecular formula C13H14Br2ClNO and a molecular weight of 395.52 g/mol. Its IUPAC name is 2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
PubChem CID106366480
Molecular FormulaC13H14Br2ClNO
Molecular Weight395.52 g/mol
Exact Mass392.91
IUPAC Name2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
SMILESO=C(NC1CCCC1CBr)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H14Br2ClNO/c14-7-8-2-1-3-12(8)17-13(18)10-6-9(16)4-5-11(10)15/h4-6,8,12H,1-3,7H2,(H,17,18)
InChIKeyPZUODJRGNRQOAM-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.40
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-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
CID 106366538
2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103925625
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106367028
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608
N-[2-(bromomethyl)cyclohexyl]-4-chloro-2-nitrobenzamide
CID 106367375
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 106366353
2-bromo-N-[2-(chloromethyl)cyclopentyl]-5-iodobenzamide
CID 106366054
N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide
CID 114179501
2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 114027684
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide?
The IUPAC name of 2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide (CID 106366480) is 2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide.
What is the SMILES notation for 2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide?
The canonical SMILES for 2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide is O=C(NC1CCCC1CBr)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide?
The InChIKey is PZUODJRGNRQOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2ClNO/c14-7-8-2-1-3-12(8)17-13(18)10-6-9(16)4-5-11(10)15/h4-6,8,12H,1-3,7H2,(H,17,18).
What are the key properties of 2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide?
2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide has a molecular weight of 395.52 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide is sourced from PubChem (CID 106366480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).