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

C12H12ClIN2 — CID 107634993

IUPAC2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1ccc(Cl)cc1I
InChIInChI=1S/C12H12ClIN2/c13-9-4-5-12(10(14)6-9)16-11-3-1-2-8(11)7-15/h4-6,8,11,16H,1-3H2
InChIKeyKEVMQWWWUZTOIK-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.05
Rot. Bonds2

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

2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile (PubChem CID 107634993) has the molecular formula C12H12ClIN2 and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile
PubChem CID107634993
Molecular FormulaC12H12ClIN2
Molecular Weight346.60 g/mol
Exact Mass345.97
IUPAC Name2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1ccc(Cl)cc1I
InChIInChI=1S/C12H12ClIN2/c13-9-4-5-12(10(14)6-9)16-11-3-1-2-8(11)7-15/h4-6,8,11,16H,1-3H2
InChIKeyKEVMQWWWUZTOIK-UHFFFAOYSA-N
XLogP4.05
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.05
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-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 79769592
2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile
CID 62742203
2-(4-chloro-2-methylanilino)cycloheptane-1-carbonitrile
CID 114255856
2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile
CID 107606392
4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline
CID 107631533
2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile
CID 62743205
2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile
CID 62743926
2-(2-chloroanilino)cyclopentane-1-carbonitrile
CID 62741656
2-(3-chloro-4-fluoroanilino)cyclopentane-1-carbonitrile
CID 83107962
4-chloro-N-cyclopropyl-2-iodoaniline
CID 107632159
4-chloro-N-cyclohexyl-2-iodoaniline
CID 107631445
2-(3-chloroanilino)cycloheptane-1-carbonitrile
CID 62743508

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile (CID 107634993) is 2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile is N#CC1CCCC1Nc1ccc(Cl)cc1I.
What is the InChIKey of 2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile?
The InChIKey is KEVMQWWWUZTOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClIN2/c13-9-4-5-12(10(14)6-9)16-11-3-1-2-8(11)7-15/h4-6,8,11,16H,1-3H2.
What are the key properties of 2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile?
2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile has a molecular weight of 346.60 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 107634993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).