2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile

C14H16Cl2N2 — CID 62962007

IUPAC2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile
SMILESCC(NC1CCCC1C#N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N2/c1-9(12-7-11(15)5-6-13(12)16)18-14-4-2-3-10(14)8-17/h5-7,9-10,14,18H,2-4H2,1H3
InChIKeyZFNNWPTVMNMEKU-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.34
Rot. Bonds3

About 2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile

2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile (PubChem CID 62962007) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile
PubChem CID62962007
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile
SMILESCC(NC1CCCC1C#N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N2/c1-9(12-7-11(15)5-6-13(12)16)18-14-4-2-3-10(14)8-17/h5-7,9-10,14,18H,2-4H2,1H3
InChIKeyZFNNWPTVMNMEKU-UHFFFAOYSA-N
XLogP4.34
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile (CID 62962007) is 2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile is CC(NC1CCCC1C#N)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile?
The InChIKey is ZFNNWPTVMNMEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-9(12-7-11(15)5-6-13(12)16)18-14-4-2-3-10(14)8-17/h5-7,9-10,14,18H,2-4H2,1H3.
What are the key properties of 2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile?
2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile has a molecular weight of 283.20 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 62962007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).