2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide

C16H19ClFN3O — CID 75442811

IUPAC2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide
SMILESCC(NCC(=O)NC1(C#N)CCCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H19ClFN3O/c1-11(12-4-5-14(18)13(17)8-12)20-9-15(22)21-16(10-19)6-2-3-7-16/h4-5,8,11,20H,2-3,6-7,9H2,1H3,(H,21,22)
InChIKeyLWLXCKYPOKKULS-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.08
Rot. Bonds5

About 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide

2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide (PubChem CID 75442811) has the molecular formula C16H19ClFN3O and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide
PubChem CID75442811
Molecular FormulaC16H19ClFN3O
Molecular Weight323.80 g/mol
Exact Mass323.12
IUPAC Name2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide
SMILESCC(NCC(=O)NC1(C#N)CCCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H19ClFN3O/c1-11(12-4-5-14(18)13(17)8-12)20-9-15(22)21-16(10-19)6-2-3-7-16/h4-5,8,11,20H,2-3,6-7,9H2,1H3,(H,21,22)
InChIKeyLWLXCKYPOKKULS-UHFFFAOYSA-N
XLogP3.08
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
CID 4806223
methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate
CID 43200173
2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide
CID 95934995
[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358450
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
3-[1-(3-chloro-4-fluorophenyl)ethylamino]propanenitrile
CID 43207707
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 79394985
2-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 97333693
methyl 3-[1-(3-chloro-4-fluorophenyl)ethylamino]propanoate
CID 43139693
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620571
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide
CID 37479013

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide (CID 75442811) is 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide is CC(NCC(=O)NC1(C#N)CCCC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is LWLXCKYPOKKULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O/c1-11(12-4-5-14(18)13(17)8-12)20-9-15(22)21-16(10-19)6-2-3-7-16/h4-5,8,11,20H,2-3,6-7,9H2,1H3,(H,21,22).
What are the key properties of 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide?
2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 323.80 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 75442811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).