N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide

C16H19FN2O2 — CID 81041266

IUPACN-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2(C#N)CCCCCC2)ccc1F
InChIInChI=1S/C16H19FN2O2/c1-21-14-10-12(6-7-13(14)17)15(20)19-16(11-18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyLPTRFAFNTVECNZ-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.18
Rot. Bonds3

About N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide

N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide (PubChem CID 81041266) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide
PubChem CID81041266
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2(C#N)CCCCCC2)ccc1F
InChIInChI=1S/C16H19FN2O2/c1-21-14-10-12(6-7-13(14)17)15(20)19-16(11-18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyLPTRFAFNTVECNZ-UHFFFAOYSA-N
XLogP3.18
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 103707335
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide
CID 114314064
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 8702776
N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide
CID 62514137
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518
N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide
CID 60704649
N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide
CID 82797779
N-(1-cyanocyclopentyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 86913663
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide (CID 81041266) is N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NC2(C#N)CCCCCC2)ccc1F.
What is the InChIKey of N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide?
The InChIKey is LPTRFAFNTVECNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-21-14-10-12(6-7-13(14)17)15(20)19-16(11-18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,19,20).
What are the key properties of N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide?
N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide has a molecular weight of 290.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 81041266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).