N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide

C18H20FN3O — CID 51097262

IUPACN-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide
SMILESC#CCN(CC(=O)NC1(C#N)CCCC1)Cc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O/c1-2-11-22(12-15-5-7-16(19)8-6-15)13-17(23)21-18(14-20)9-3-4-10-18/h1,5-8H,3-4,9-13H2,(H,21,23)
InChIKeyJWNLWRGEESESLC-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.21
Rot. Bonds6

About N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide

N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide (PubChem CID 51097262) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide
PubChem CID51097262
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide
SMILESC#CCN(CC(=O)NC1(C#N)CCCC1)Cc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O/c1-2-11-22(12-15-5-7-16(19)8-6-15)13-17(23)21-18(14-20)9-3-4-10-18/h1,5-8H,3-4,9-13H2,(H,21,23)
InChIKeyJWNLWRGEESESLC-UHFFFAOYSA-N
XLogP2.21
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide
CID 51170595
2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 18129609
N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 30667289
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 60704808
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide
CID 86860847
N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 36932366
1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile
CID 28702687
N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide
CID 111332009
2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide
CID 111432016
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878271

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide (CID 51097262) is N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide is C#CCN(CC(=O)NC1(C#N)CCCC1)Cc1ccc(F)cc1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide?
The InChIKey is JWNLWRGEESESLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-2-11-22(12-15-5-7-16(19)8-6-15)13-17(23)21-18(14-20)9-3-4-10-18/h1,5-8H,3-4,9-13H2,(H,21,23).
What are the key properties of N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide?
N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide has a molecular weight of 313.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide is sourced from PubChem (CID 51097262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).