2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide

C17H22ClN3O — CID 95934995

IUPAC2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide
SMILESC[C@H](c1ccc(Cl)cc1)N(C)CC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C17H22ClN3O/c1-13(14-5-7-15(18)8-6-14)21(2)11-16(22)20-17(12-19)9-3-4-10-17/h5-8,13H,3-4,9-11H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyNKKCPGAZOIWVAG-CYBMUJFWSA-N
MW319.84 g/mol
LogP3.29
Rot. Bonds5

About 2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide

2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide (PubChem CID 95934995) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide
PubChem CID95934995
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide
SMILESC[C@H](c1ccc(Cl)cc1)N(C)CC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C17H22ClN3O/c1-13(14-5-7-15(18)8-6-14)21(2)11-16(22)20-17(12-19)9-3-4-10-17/h5-8,13H,3-4,9-11H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyNKKCPGAZOIWVAG-CYBMUJFWSA-N
XLogP3.29
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclopentyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 51073006
2-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide
CID 95158339
2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocycloheptyl)acetamide
CID 55538539
N-(1-cyanocyclohexyl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 36932366
2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide
CID 75442811
3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide
CID 78830459
[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium
CID 9334887
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate
CID 7821280
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide
CID 9136887
N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
CID 51106356

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide (CID 95934995) is 2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide is C[C@H](c1ccc(Cl)cc1)N(C)CC(=O)NC1(C#N)CCCC1.
What is the InChIKey of 2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is NKKCPGAZOIWVAG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-13(14-5-7-15(18)8-6-14)21(2)11-16(22)20-17(12-19)9-3-4-10-17/h5-8,13H,3-4,9-11H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide?
2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 319.84 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 95934995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).