2-bromo-N-(2-bromocyclopentyl)benzamide

C12H13Br2NO — CID 80662128

IUPAC2-bromo-N-(2-bromocyclopentyl)benzamide
SMILESO=C(NC1CCCC1Br)c1ccccc1Br
InChIInChI=1S/C12H13Br2NO/c13-9-5-2-1-4-8(9)12(16)15-11-7-3-6-10(11)14/h1-2,4-5,10-11H,3,6-7H2,(H,15,16)
InChIKeyBBTHTRHMACPNDA-UHFFFAOYSA-N
MW347.05 g/mol
LogP3.49
Rot. Bonds2

About 2-bromo-N-(2-bromocyclopentyl)benzamide

2-bromo-N-(2-bromocyclopentyl)benzamide (PubChem CID 80662128) has the molecular formula C12H13Br2NO and a molecular weight of 347.05 g/mol. Its IUPAC name is 2-bromo-N-(2-bromocyclopentyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromocyclopentyl)benzamide
PubChem CID80662128
Molecular FormulaC12H13Br2NO
Molecular Weight347.05 g/mol
Exact Mass344.94
IUPAC Name2-bromo-N-(2-bromocyclopentyl)benzamide
SMILESO=C(NC1CCCC1Br)c1ccccc1Br
InChIInChI=1S/C12H13Br2NO/c13-9-5-2-1-4-8(9)12(16)15-11-7-3-6-10(11)14/h1-2,4-5,10-11H,3,6-7H2,(H,15,16)
InChIKeyBBTHTRHMACPNDA-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.05
LogP ≤ 53.49
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

2-bromo-N-(2-chlorocyclohexyl)benzamide
CID 114301050
N-(2-bromocyclopentyl)-2-nitrobenzamide
CID 80663029
N-(2-bromocyclopentyl)-2-methylsulfanylbenzamide
CID 80662433
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066709
2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 113249262
N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide
CID 114312067
N-(2-bromocyclopentyl)-2,5-dimethylbenzamide
CID 80662221
2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364
4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide
CID 113275078
2-bromo-N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamothioyl]benzamide
CID 7041207
4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395123

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromocyclopentyl)benzamide?
The IUPAC name of 2-bromo-N-(2-bromocyclopentyl)benzamide (CID 80662128) is 2-bromo-N-(2-bromocyclopentyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-bromocyclopentyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-bromocyclopentyl)benzamide is O=C(NC1CCCC1Br)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-bromocyclopentyl)benzamide?
The InChIKey is BBTHTRHMACPNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO/c13-9-5-2-1-4-8(9)12(16)15-11-7-3-6-10(11)14/h1-2,4-5,10-11H,3,6-7H2,(H,15,16).
What are the key properties of 2-bromo-N-(2-bromocyclopentyl)benzamide?
2-bromo-N-(2-bromocyclopentyl)benzamide has a molecular weight of 347.05 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromocyclopentyl)benzamide is sourced from PubChem (CID 80662128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).