2-(2-chloro-4-iodoanilino)cyclopentan-1-ol

C11H13ClINO — CID 107606370

IUPAC2-(2-chloro-4-iodoanilino)cyclopentan-1-ol
SMILESOC1CCCC1Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H13ClINO/c12-8-6-7(13)4-5-9(8)14-10-2-1-3-11(10)15/h4-6,10-11,14-15H,1-3H2
InChIKeyLHTWHRHDJSHIMP-UHFFFAOYSA-N
MW337.59 g/mol
LogP3.27
Rot. Bonds2

About 2-(2-chloro-4-iodoanilino)cyclopentan-1-ol

2-(2-chloro-4-iodoanilino)cyclopentan-1-ol (PubChem CID 107606370) has the molecular formula C11H13ClINO and a molecular weight of 337.59 g/mol. Its IUPAC name is 2-(2-chloro-4-iodoanilino)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(2-chloro-4-iodoanilino)cyclopentan-1-ol
PubChem CID107606370
Molecular FormulaC11H13ClINO
Molecular Weight337.59 g/mol
Exact Mass336.97
IUPAC Name2-(2-chloro-4-iodoanilino)cyclopentan-1-ol
SMILESOC1CCCC1Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H13ClINO/c12-8-6-7(13)4-5-9(8)14-10-2-1-3-11(10)15/h4-6,10-11,14-15H,1-3H2
InChIKeyLHTWHRHDJSHIMP-UHFFFAOYSA-N
XLogP3.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.59
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloro-4-iodoanilino)oxolan-3-ol
CID 107606411
2-chloro-4-iodo-N-(2-methylsulfonylcyclopentyl)aniline
CID 65044044
trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol
CID 93345869
2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile
CID 107606392
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol
CID 102732904
2-(4-iodoanilino)cyclopentan-1-ol
CID 60886056
N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine
CID 63445286
2-(4-chloro-2-methylanilino)cyclopentan-1-ol
CID 25130591
2-chloro-4-iodo-N-(3-methylcyclohexyl)aniline
CID 43733640
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol
CID 102730840
trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol
CID 102733058
trans-(1S,2S)-2-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodoanilino)cyclopentan-1-ol?
The IUPAC name of 2-(2-chloro-4-iodoanilino)cyclopentan-1-ol (CID 107606370) is 2-(2-chloro-4-iodoanilino)cyclopentan-1-ol.
What is the SMILES notation for 2-(2-chloro-4-iodoanilino)cyclopentan-1-ol?
The canonical SMILES for 2-(2-chloro-4-iodoanilino)cyclopentan-1-ol is OC1CCCC1Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-iodoanilino)cyclopentan-1-ol?
The InChIKey is LHTWHRHDJSHIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClINO/c12-8-6-7(13)4-5-9(8)14-10-2-1-3-11(10)15/h4-6,10-11,14-15H,1-3H2.
What are the key properties of 2-(2-chloro-4-iodoanilino)cyclopentan-1-ol?
2-(2-chloro-4-iodoanilino)cyclopentan-1-ol has a molecular weight of 337.59 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-iodoanilino)cyclopentan-1-ol is sourced from PubChem (CID 107606370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).