2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile

C13H14ClIN2 — CID 107606392

IUPAC2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1Nc1ccc(I)cc1Cl
InChIInChI=1S/C13H14ClIN2/c14-11-7-10(15)5-6-13(11)17-12-4-2-1-3-9(12)8-16/h5-7,9,12,17H,1-4H2
InChIKeySFBDZNAHIIGQIP-UHFFFAOYSA-N
MW360.63 g/mol
LogP4.44
Rot. Bonds2

About 2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile

2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile (PubChem CID 107606392) has the molecular formula C13H14ClIN2 and a molecular weight of 360.63 g/mol. Its IUPAC name is 2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile
PubChem CID107606392
Molecular FormulaC13H14ClIN2
Molecular Weight360.63 g/mol
Exact Mass359.99
IUPAC Name2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1Nc1ccc(I)cc1Cl
InChIInChI=1S/C13H14ClIN2/c14-11-7-10(15)5-6-13(11)17-12-4-2-1-3-9(12)8-16/h5-7,9,12,17H,1-4H2
InChIKeySFBDZNAHIIGQIP-UHFFFAOYSA-N
XLogP4.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.63
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile
CID 62742203
2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile
CID 62743205
2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 107634993
2-(2-chloro-4-iodoanilino)cyclopentan-1-ol
CID 107606370
2-(2-chloroanilino)cyclopentane-1-carbonitrile
CID 62741656
2-(4-chloro-2-methylanilino)cycloheptane-1-carbonitrile
CID 114255856
2-(2-bromo-3-chloroanilino)cyclohexane-1-carbonitrile
CID 103478909
2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 79769592
2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile
CID 62743926
2-chloro-4-iodo-N-(2-methylsulfonylcyclopentyl)aniline
CID 65044044
2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile
CID 103479056
2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile
CID 62743322

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile (CID 107606392) is 2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile is N#CC1CCCCC1Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile?
The InChIKey is SFBDZNAHIIGQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClIN2/c14-11-7-10(15)5-6-13(11)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-chloro-4-iodoanilino)cyclohexane-1-carbonitrile?
2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile has a molecular weight of 360.63 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 107606392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).