2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile

C12H11Cl3N2 — CID 62743926

IUPAC2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl3N2/c13-8-4-9(14)12(10(15)5-8)17-11-3-1-2-7(11)6-16/h4-5,7,11,17H,1-3H2
InChIKeyLHTCMINDADXYBE-UHFFFAOYSA-N
MW289.59 g/mol
LogP4.75
Rot. Bonds2

About 2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile

2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile (PubChem CID 62743926) has the molecular formula C12H11Cl3N2 and a molecular weight of 289.59 g/mol. Its IUPAC name is 2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile
PubChem CID62743926
Molecular FormulaC12H11Cl3N2
Molecular Weight289.59 g/mol
Exact Mass288.00
IUPAC Name2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl3N2/c13-8-4-9(14)12(10(15)5-8)17-11-3-1-2-7(11)6-16/h4-5,7,11,17H,1-3H2
InChIKeyLHTCMINDADXYBE-UHFFFAOYSA-N
XLogP4.75
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile
CID 62742203
2-(3-chloro-4-fluoroanilino)cyclopentane-1-carbonitrile
CID 83107962
2-(2-chloroanilino)cyclopentane-1-carbonitrile
CID 62741656
2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile
CID 62743205
2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 107634993
2-(5-chloro-2,4-dimethoxyanilino)cyclopentane-1-carbonitrile
CID 62741106
2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile
CID 65467072
2-(2-chloro-6-methylanilino)cyclohexane-1-carbonitrile
CID 66253476
2-(3-chloroanilino)cycloheptane-1-carbonitrile
CID 62743508
3,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 62961800
2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile
CID 62741470
2,4,6-trichloro-N-cyclobutylaniline
CID 63425611

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile (CID 62743926) is 2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile is N#CC1CCCC1Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile?
The InChIKey is LHTCMINDADXYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N2/c13-8-4-9(14)12(10(15)5-8)17-11-3-1-2-7(11)6-16/h4-5,7,11,17H,1-3H2.
What are the key properties of 2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile?
2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile has a molecular weight of 289.59 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62743926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).