2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile

C12H12BrClN2 — CID 103479056

IUPAC2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1cccc(Cl)c1Br
InChIInChI=1S/C12H12BrClN2/c13-12-9(14)4-2-6-11(12)16-10-5-1-3-8(10)7-15/h2,4,6,8,10,16H,1,3,5H2
InChIKeyWZLGEQLFVMBVKH-UHFFFAOYSA-N
MW299.60 g/mol
LogP4.21
Rot. Bonds2

About 2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile

2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile (PubChem CID 103479056) has the molecular formula C12H12BrClN2 and a molecular weight of 299.60 g/mol. Its IUPAC name is 2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile
PubChem CID103479056
Molecular FormulaC12H12BrClN2
Molecular Weight299.60 g/mol
Exact Mass297.99
IUPAC Name2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1cccc(Cl)c1Br
InChIInChI=1S/C12H12BrClN2/c13-12-9(14)4-2-6-11(12)16-10-5-1-3-8(10)7-15/h2,4,6,8,10,16H,1,3,5H2
InChIKeyWZLGEQLFVMBVKH-UHFFFAOYSA-N
XLogP4.21
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.60
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-3-chloroanilino)cyclohexane-1-carbonitrile
CID 103478909
2-(2-chloroanilino)cyclopentane-1-carbonitrile
CID 62741656
2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile
CID 62743205
2-(2-chloro-6-methylanilino)cyclohexane-1-carbonitrile
CID 66253476
2-bromo-N-(2-tert-butylcyclohexyl)-3-chloroaniline
CID 103478310
2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline
CID 103478396
2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile
CID 62742203
2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile
CID 62743926
2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 103478265
2-(2-methylanilino)cycloheptane-1-carbonitrile
CID 62743701
2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 107634993
2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile
CID 107606392

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile (CID 103479056) is 2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile is N#CC1CCCC1Nc1cccc(Cl)c1Br.
What is the InChIKey of 2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile?
The InChIKey is WZLGEQLFVMBVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2/c13-12-9(14)4-2-6-11(12)16-10-5-1-3-8(10)7-15/h2,4,6,8,10,16H,1,3,5H2.
What are the key properties of 2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile?
2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile has a molecular weight of 299.60 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 103479056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).