2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile

C13H14Cl2N2 — CID 62742203

IUPAC2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2/c14-10-5-6-13(11(15)7-10)17-12-4-2-1-3-9(12)8-16/h5-7,9,12,17H,1-4H2
InChIKeyOPCXELSCUZSHQF-UHFFFAOYSA-N
MW269.17 g/mol
LogP4.49
Rot. Bonds2

About 2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile

2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile (PubChem CID 62742203) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile
PubChem CID62742203
Molecular FormulaC13H14Cl2N2
Molecular Weight269.17 g/mol
Exact Mass268.05
IUPAC Name2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2/c14-10-5-6-13(11(15)7-10)17-12-4-2-1-3-9(12)8-16/h5-7,9,12,17H,1-4H2
InChIKeyOPCXELSCUZSHQF-UHFFFAOYSA-N
XLogP4.49
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile
CID 107606392
2-(4-chloro-2-methylanilino)cycloheptane-1-carbonitrile
CID 114255856
2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile
CID 62743205
2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 107634993
2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile
CID 62743926
2-(2-chloroanilino)cyclopentane-1-carbonitrile
CID 62741656
2-(3-chloroanilino)cycloheptane-1-carbonitrile
CID 62743508
N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline
CID 55199009
2-(2-bromo-3-chloroanilino)cyclohexane-1-carbonitrile
CID 103478909
2-(3-chloro-4-fluoroanilino)cyclopentane-1-carbonitrile
CID 83107962
2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile
CID 62743322
2,4-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55256942

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile (CID 62742203) is 2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile is N#CC1CCCCC1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile?
The InChIKey is OPCXELSCUZSHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c14-10-5-6-13(11(15)7-10)17-12-4-2-1-3-9(12)8-16/h5-7,9,12,17H,1-4H2.
What are the key properties of 2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile?
2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile has a molecular weight of 269.17 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 62742203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).