3,5-dibromo-N-(2-cyanocyclopentyl)benzamide

C13H12Br2N2O — CID 103908948

IUPAC3,5-dibromo-N-(2-cyanocyclopentyl)benzamide
SMILESN#CC1CCCC1NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H12Br2N2O/c14-10-4-9(5-11(15)6-10)13(18)17-12-3-1-2-8(12)7-16/h4-6,8,12H,1-3H2,(H,17,18)
InChIKeyRDARKVMHHZSDPO-UHFFFAOYSA-N
MW372.06 g/mol
LogP3.63
Rot. Bonds2

About 3,5-dibromo-N-(2-cyanocyclopentyl)benzamide

3,5-dibromo-N-(2-cyanocyclopentyl)benzamide (PubChem CID 103908948) has the molecular formula C13H12Br2N2O and a molecular weight of 372.06 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-cyanocyclopentyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-cyanocyclopentyl)benzamide
PubChem CID103908948
Molecular FormulaC13H12Br2N2O
Molecular Weight372.06 g/mol
Exact Mass369.93
IUPAC Name3,5-dibromo-N-(2-cyanocyclopentyl)benzamide
SMILESN#CC1CCCC1NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H12Br2N2O/c14-10-4-9(5-11(15)6-10)13(18)17-12-3-1-2-8(12)7-16/h4-6,8,12H,1-3H2,(H,17,18)
InChIKeyRDARKVMHHZSDPO-UHFFFAOYSA-N
XLogP3.63
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 62961800
5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide
CID 62962185
4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide
CID 113339251
3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide
CID 81002663
3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103909256
N-[(1R,2R)-2-cyanocyclohexyl]benzamide
CID 10656966
N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide
CID 62962345
N-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide
CID 113358590
4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide
CID 103876619
3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide
CID 99636900
2,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 55152720
2-bromo-N-(2-cyanocyclopentyl)butanamide
CID 62962905

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-cyanocyclopentyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-cyanocyclopentyl)benzamide (CID 103908948) is 3,5-dibromo-N-(2-cyanocyclopentyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-cyanocyclopentyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-cyanocyclopentyl)benzamide is N#CC1CCCC1NC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-cyanocyclopentyl)benzamide?
The InChIKey is RDARKVMHHZSDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O/c14-10-4-9(5-11(15)6-10)13(18)17-12-3-1-2-8(12)7-16/h4-6,8,12H,1-3H2,(H,17,18).
What are the key properties of 3,5-dibromo-N-(2-cyanocyclopentyl)benzamide?
3,5-dibromo-N-(2-cyanocyclopentyl)benzamide has a molecular weight of 372.06 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-cyanocyclopentyl)benzamide is sourced from PubChem (CID 103908948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).