3-(5-bromo-2-chloroanilino)pentanenitrile

C11H12BrClN2 — CID 62915038

IUPAC3-(5-bromo-2-chloroanilino)pentanenitrile
SMILESCCC(CC#N)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C11H12BrClN2/c1-2-9(5-6-14)15-11-7-8(12)3-4-10(11)13/h3-4,7,9,15H,2,5H2,1H3
InChIKeyWWPJPCDJFIBWMY-UHFFFAOYSA-N
MW287.59 g/mol
LogP4.21
Rot. Bonds4

About 3-(5-bromo-2-chloroanilino)pentanenitrile

3-(5-bromo-2-chloroanilino)pentanenitrile (PubChem CID 62915038) has the molecular formula C11H12BrClN2 and a molecular weight of 287.59 g/mol. Its IUPAC name is 3-(5-bromo-2-chloroanilino)pentanenitrile.

Molecular Properties

Compound Name3-(5-bromo-2-chloroanilino)pentanenitrile
PubChem CID62915038
Molecular FormulaC11H12BrClN2
Molecular Weight287.59 g/mol
Exact Mass285.99
IUPAC Name3-(5-bromo-2-chloroanilino)pentanenitrile
SMILESCCC(CC#N)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C11H12BrClN2/c1-2-9(5-6-14)15-11-7-8(12)3-4-10(11)13/h3-4,7,9,15H,2,5H2,1H3
InChIKeyWWPJPCDJFIBWMY-UHFFFAOYSA-N
XLogP4.21
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.59
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4,5-trichloroanilino)pentanenitrile
CID 43368249
3-(4-bromo-2-fluoroanilino)pentanenitrile
CID 43175166
3-[(5-bromo-2-chlorophenyl)methylamino]pentanenitrile
CID 104695344
5-bromo-2-chloro-N-heptan-4-ylaniline
CID 63478782
3-(4-bromoanilino)pentanenitrile
CID 43368613
4-bromo-2-chloro-N-(1-cyanobutan-2-yl)benzamide
CID 62646522
3-(2,6-dibromoanilino)pentanenitrile
CID 107599042
3-(5-bromo-2-chloroanilino)propanenitrile
CID 62914516
4-bromo-2-(1-cyanopropan-2-ylamino)benzonitrile
CID 107798003
3-(2-chloro-5-iodoanilino)butanenitrile
CID 130499003
4-bromo-2-(heptan-3-ylamino)benzonitrile
CID 114002466
3-[(5-bromo-2-hydroxyphenyl)methylamino]pentanenitrile
CID 104695396

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chloroanilino)pentanenitrile?
The IUPAC name of 3-(5-bromo-2-chloroanilino)pentanenitrile (CID 62915038) is 3-(5-bromo-2-chloroanilino)pentanenitrile.
What is the SMILES notation for 3-(5-bromo-2-chloroanilino)pentanenitrile?
The canonical SMILES for 3-(5-bromo-2-chloroanilino)pentanenitrile is CCC(CC#N)Nc1cc(Br)ccc1Cl.
What is the InChIKey of 3-(5-bromo-2-chloroanilino)pentanenitrile?
The InChIKey is WWPJPCDJFIBWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2/c1-2-9(5-6-14)15-11-7-8(12)3-4-10(11)13/h3-4,7,9,15H,2,5H2,1H3.
What are the key properties of 3-(5-bromo-2-chloroanilino)pentanenitrile?
3-(5-bromo-2-chloroanilino)pentanenitrile has a molecular weight of 287.59 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-chloroanilino)pentanenitrile is sourced from PubChem (CID 62915038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).