N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide

C16H18F2N2O — CID 82797779

IUPACN-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2(C#N)CCCCCC2)c1F
InChIInChI=1S/C16H18F2N2O/c1-11-6-7-12(17)13(14(11)18)15(21)20-16(10-19)8-4-2-3-5-9-16/h6-7H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyFIXFJDCSULKZRW-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.62
Rot. Bonds2

About N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide

N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide (PubChem CID 82797779) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide
PubChem CID82797779
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC2(C#N)CCCCCC2)c1F
InChIInChI=1S/C16H18F2N2O/c1-11-6-7-12(17)13(14(11)18)15(21)20-16(10-19)8-4-2-3-5-9-16/h6-7H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyFIXFJDCSULKZRW-UHFFFAOYSA-N
XLogP3.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide
CID 62514137
2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide
CID 115687322
N-(1-cyanocycloheptyl)-4-fluoro-2-methylbenzamide
CID 115746057
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518
N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide
CID 81041266
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide
CID 54904547
3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 103707335
3-bromo-N-(1-cyanocycloheptyl)-2-fluorobenzamide
CID 106547595
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386923

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide (CID 82797779) is N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)NC2(C#N)CCCCCC2)c1F.
What is the InChIKey of N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide?
The InChIKey is FIXFJDCSULKZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-11-6-7-12(17)13(14(11)18)15(21)20-16(10-19)8-4-2-3-5-9-16/h6-7H,2-5,8-9H2,1H3,(H,20,21).
What are the key properties of N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide?
N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide has a molecular weight of 292.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82797779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).