2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile

C12H12BrClN2 — CID 62743205

IUPAC2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C12H12BrClN2/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
InChIKeyGJPGLPVFHHYCLQ-UHFFFAOYSA-N
MW299.60 g/mol
LogP4.21
Rot. Bonds2

About 2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile

2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile (PubChem CID 62743205) has the molecular formula C12H12BrClN2 and a molecular weight of 299.60 g/mol. Its IUPAC name is 2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile
PubChem CID62743205
Molecular FormulaC12H12BrClN2
Molecular Weight299.60 g/mol
Exact Mass297.99
IUPAC Name2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C12H12BrClN2/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
InChIKeyGJPGLPVFHHYCLQ-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-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile
CID 62742205
2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile
CID 62742203
2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile
CID 107606392
2-(2-chloroanilino)cyclopentane-1-carbonitrile
CID 62741656
trans-(1R,2S)-2-(4-bromo-2-nitroanilino)cyclopentane-1-carbonitrile
CID 96525958
2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile
CID 103479056
4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62963448
4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline
CID 64761795
2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 107634993
2-(2-bromo-3-chloroanilino)cyclohexane-1-carbonitrile
CID 103478909
2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile
CID 62743926
2-(4-chloro-2-methylanilino)cycloheptane-1-carbonitrile
CID 114255856

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile (CID 62743205) is 2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile is N#CC1CCCC1Nc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile?
The InChIKey is GJPGLPVFHHYCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2/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-bromo-2-chloroanilino)cyclopentane-1-carbonitrile?
2-(4-bromo-2-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-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62743205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).