3-cyano-N-(2-methoxycyclopentyl)benzamide

C14H16N2O2 — CID 62088957

IUPAC3-cyano-N-(2-methoxycyclopentyl)benzamide
SMILESCOC1CCCC1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H16N2O2/c1-18-13-7-3-6-12(13)16-14(17)11-5-2-4-10(8-11)9-15/h2,4-5,8,12-13H,3,6-7H2,1H3,(H,16,17)
InChIKeyXKYHCBIYLGSMRV-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.86
Rot. Bonds3

About 3-cyano-N-(2-methoxycyclopentyl)benzamide

3-cyano-N-(2-methoxycyclopentyl)benzamide (PubChem CID 62088957) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-cyano-N-(2-methoxycyclopentyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-methoxycyclopentyl)benzamide
PubChem CID62088957
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-cyano-N-(2-methoxycyclopentyl)benzamide
SMILESCOC1CCCC1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H16N2O2/c1-18-13-7-3-6-12(13)16-14(17)11-5-2-4-10(8-11)9-15/h2,4-5,8,12-13H,3,6-7H2,1H3,(H,16,17)
InChIKeyXKYHCBIYLGSMRV-UHFFFAOYSA-N
XLogP1.86
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
CID 11920013
3-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086745
3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404837
3-cyano-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide
CID 133268317
3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066723
3-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82728473
4-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087188
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 86841427
3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62086482
3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide
CID 62087821
3-amino-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62088894
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide
CID 110145684

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-methoxycyclopentyl)benzamide?
The IUPAC name of 3-cyano-N-(2-methoxycyclopentyl)benzamide (CID 62088957) is 3-cyano-N-(2-methoxycyclopentyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-methoxycyclopentyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-methoxycyclopentyl)benzamide is COC1CCCC1NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(2-methoxycyclopentyl)benzamide?
The InChIKey is XKYHCBIYLGSMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-13-7-3-6-12(13)16-14(17)11-5-2-4-10(8-11)9-15/h2,4-5,8,12-13H,3,6-7H2,1H3,(H,16,17).
What are the key properties of 3-cyano-N-(2-methoxycyclopentyl)benzamide?
3-cyano-N-(2-methoxycyclopentyl)benzamide has a molecular weight of 244.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-methoxycyclopentyl)benzamide is sourced from PubChem (CID 62088957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).