2-(2-chloroanilino)cyclopentane-1-carbonitrile

C12H13ClN2 — CID 62741656

IUPAC2-(2-chloroanilino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1ccccc1Cl
InChIInChI=1S/C12H13ClN2/c13-10-5-1-2-6-12(10)15-11-7-3-4-9(11)8-14/h1-2,5-6,9,11,15H,3-4,7H2
InChIKeyGMQPFLBUFUVJQZ-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.44
Rot. Bonds2

About 2-(2-chloroanilino)cyclopentane-1-carbonitrile

2-(2-chloroanilino)cyclopentane-1-carbonitrile (PubChem CID 62741656) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-(2-chloroanilino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-chloroanilino)cyclopentane-1-carbonitrile
PubChem CID62741656
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name2-(2-chloroanilino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1ccccc1Cl
InChIInChI=1S/C12H13ClN2/c13-10-5-1-2-6-12(10)15-11-7-3-4-9(11)8-14/h1-2,5-6,9,11,15H,3-4,7H2
InChIKeyGMQPFLBUFUVJQZ-UHFFFAOYSA-N
XLogP3.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile
CID 103479056
2-(2-bromo-3-chloroanilino)cyclohexane-1-carbonitrile
CID 103478909
2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile
CID 62743205
2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile
CID 62742203
2-(2-methylanilino)cycloheptane-1-carbonitrile
CID 62743701
trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol
CID 93345869
2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile
CID 107606392
2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile
CID 62743926
2-(2-chloro-6-methylanilino)cyclohexane-1-carbonitrile
CID 66253476
2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 107634993
2-anilinocyclohexane-1-carbonitrile
CID 62741639
2-(5-chloro-2,4-dimethoxyanilino)cyclopentane-1-carbonitrile
CID 62741106

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-chloroanilino)cyclopentane-1-carbonitrile (CID 62741656) is 2-(2-chloroanilino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-chloroanilino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-chloroanilino)cyclopentane-1-carbonitrile is N#CC1CCCC1Nc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroanilino)cyclopentane-1-carbonitrile?
The InChIKey is GMQPFLBUFUVJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c13-10-5-1-2-6-12(10)15-11-7-3-4-9(11)8-14/h1-2,5-6,9,11,15H,3-4,7H2.
What are the key properties of 2-(2-chloroanilino)cyclopentane-1-carbonitrile?
2-(2-chloroanilino)cyclopentane-1-carbonitrile has a molecular weight of 220.70 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62741656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).