4-chloro-2-(1-cyclopentylethylamino)benzonitrile

C14H17ClN2 — CID 62632984

IUPAC4-chloro-2-(1-cyclopentylethylamino)benzonitrile
SMILESCC(Nc1cc(Cl)ccc1C#N)C1CCCC1
InChIInChI=1S/C14H17ClN2/c1-10(11-4-2-3-5-11)17-14-8-13(15)7-6-12(14)9-16/h6-8,10-11,17H,2-5H2,1H3
InChIKeySFJGTPCRNWJLBG-UHFFFAOYSA-N
MW248.76 g/mol
LogP4.20
Rot. Bonds3

About 4-chloro-2-(1-cyclopentylethylamino)benzonitrile

4-chloro-2-(1-cyclopentylethylamino)benzonitrile (PubChem CID 62632984) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 4-chloro-2-(1-cyclopentylethylamino)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(1-cyclopentylethylamino)benzonitrile
PubChem CID62632984
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name4-chloro-2-(1-cyclopentylethylamino)benzonitrile
SMILESCC(Nc1cc(Cl)ccc1C#N)C1CCCC1
InChIInChI=1S/C14H17ClN2/c1-10(11-4-2-3-5-11)17-14-8-13(15)7-6-12(14)9-16/h6-8,10-11,17H,2-5H2,1H3
InChIKeySFJGTPCRNWJLBG-UHFFFAOYSA-N
XLogP4.20
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-4-[[(1R)-1-cyclopropylethyl]amino]benzonitrile
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4-chloro-2-(thian-4-ylamino)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-cyclopentylethylamino)benzonitrile?
The IUPAC name of 4-chloro-2-(1-cyclopentylethylamino)benzonitrile (CID 62632984) is 4-chloro-2-(1-cyclopentylethylamino)benzonitrile.
What is the SMILES notation for 4-chloro-2-(1-cyclopentylethylamino)benzonitrile?
The canonical SMILES for 4-chloro-2-(1-cyclopentylethylamino)benzonitrile is CC(Nc1cc(Cl)ccc1C#N)C1CCCC1.
What is the InChIKey of 4-chloro-2-(1-cyclopentylethylamino)benzonitrile?
The InChIKey is SFJGTPCRNWJLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-10(11-4-2-3-5-11)17-14-8-13(15)7-6-12(14)9-16/h6-8,10-11,17H,2-5H2,1H3.
What are the key properties of 4-chloro-2-(1-cyclopentylethylamino)benzonitrile?
4-chloro-2-(1-cyclopentylethylamino)benzonitrile has a molecular weight of 248.76 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-cyclopentylethylamino)benzonitrile is sourced from PubChem (CID 62632984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).