N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide

C16H19FN2O2 — CID 102883092

IUPACN-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(C#N)CCC(C)CC2)c(F)c1
InChIInChI=1S/C16H19FN2O2/c1-11-5-7-16(10-18,8-6-11)19-15(20)13-4-3-12(21-2)9-14(13)17/h3-4,9,11H,5-8H2,1-2H3,(H,19,20)
InChIKeyNMCVWUPYAATOFP-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.04
Rot. Bonds3

About N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide

N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide (PubChem CID 102883092) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide
PubChem CID102883092
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(C#N)CCC(C)CC2)c(F)c1
InChIInChI=1S/C16H19FN2O2/c1-11-5-7-16(10-18,8-6-11)19-15(20)13-4-3-12(21-2)9-14(13)17/h3-4,9,11H,5-8H2,1-2H3,(H,19,20)
InChIKeyNMCVWUPYAATOFP-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide
CID 60704649
2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide
CID 107987700
1-(1-cyano-4-methylcyclohexyl)-3-(3-methoxyphenyl)urea
CID 61310955
3-bromo-N-(1-cyano-4-methylcyclohexyl)-2-fluorobenzamide
CID 107951120
N-(1-cyano-4-methylcyclohexyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830256
N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 60717143
2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide
CID 60967528
(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone
CID 81304901
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-methoxybenzamide
CID 103806873
2-fluoro-N-(2-hydroxycyclohexyl)-4-methoxybenzamide
CID 103816699
N-(1-carbamothioylcyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883138
N-(1-cyano-4-methylcyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156744

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide (CID 102883092) is N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC2(C#N)CCC(C)CC2)c(F)c1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide?
The InChIKey is NMCVWUPYAATOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-11-5-7-16(10-18,8-6-11)19-15(20)13-4-3-12(21-2)9-14(13)17/h3-4,9,11H,5-8H2,1-2H3,(H,19,20).
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide?
N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide has a molecular weight of 290.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 102883092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).