3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide

C14H15ClN2O — CID 81002663

IUPAC3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NC2CCCC2C#N)c1
InChIInChI=1S/C14H15ClN2O/c1-9-5-11(7-12(15)6-9)14(18)17-13-4-2-3-10(13)8-16/h5-7,10,13H,2-4H2,1H3,(H,17,18)
InChIKeyUDWGXKRDAIOOOT-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.07
Rot. Bonds2

About 3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide

3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide (PubChem CID 81002663) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide
PubChem CID81002663
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NC2CCCC2C#N)c1
InChIInChI=1S/C14H15ClN2O/c1-9-5-11(7-12(15)6-9)14(18)17-13-4-2-3-10(13)8-16/h5-7,10,13H,2-4H2,1H3,(H,17,18)
InChIKeyUDWGXKRDAIOOOT-UHFFFAOYSA-N
XLogP3.07
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 62961800
N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide
CID 81323198
3,5-dibromo-N-(2-cyanocyclopentyl)benzamide
CID 103908948
3-chloro-N-cyclopentyl-5-methylbenzamide
CID 80948177
N-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide
CID 113358590
N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide
CID 62962345
2,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 55152720
4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide
CID 103876619
4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide
CID 113339251
5-chloro-N-(2-cyanocyclopentyl)-2-hydroxybenzamide
CID 62961255
N-[(1R,2R)-2-cyanocyclohexyl]benzamide
CID 10656966
5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide
CID 62962185

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide?
The IUPAC name of 3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide (CID 81002663) is 3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)NC2CCCC2C#N)c1.
What is the InChIKey of 3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide?
The InChIKey is UDWGXKRDAIOOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-5-11(7-12(15)6-9)14(18)17-13-4-2-3-10(13)8-16/h5-7,10,13H,2-4H2,1H3,(H,17,18).
What are the key properties of 3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide?
3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide has a molecular weight of 262.74 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide is sourced from PubChem (CID 81002663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).