N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide

C15H15F3N2O — CID 60704808

IUPACN-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESN#CC1(NC(=O)Cc2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)12-5-3-11(4-6-12)9-13(21)20-14(10-19)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,20,21)
InChIKeyLLHKOUGJMZKVOB-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.20
Rot. Bonds3

About N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 60704808) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID60704808
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC NameN-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESN#CC1(NC(=O)Cc2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)12-5-3-11(4-6-12)9-13(21)20-14(10-19)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,20,21)
InChIKeyLLHKOUGJMZKVOB-UHFFFAOYSA-N
XLogP3.20
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 30667289
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
CID 55023977
N-(1-cyanocyclopentyl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435604
N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide
CID 60592180
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838459
3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide
CID 78830459
N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide
CID 78830549
N-[1-(4-methoxyphenyl)cyclopentyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52845959
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide
CID 37479013
N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 91776931
N-(1-cyanocyclopentyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8001169

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 60704808) is N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide is N#CC1(NC(=O)Cc2ccc(C(F)(F)F)cc2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LLHKOUGJMZKVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)12-5-3-11(4-6-12)9-13(21)20-14(10-19)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,20,21).
What are the key properties of N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 296.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 60704808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).