2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile

C13H14BrFN2 — CID 54894227

IUPAC2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile
SMILESN#CC(NC1CCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C13H14BrFN2/c14-9-5-6-11(12(15)7-9)13(8-16)17-10-3-1-2-4-10/h5-7,10,13,17H,1-4H2
InChIKeyFELQLDAKEBOTCH-UHFFFAOYSA-N
MW297.17 g/mol
LogP3.69
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile

2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile (PubChem CID 54894227) has the molecular formula C13H14BrFN2 and a molecular weight of 297.17 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile
PubChem CID54894227
Molecular FormulaC13H14BrFN2
Molecular Weight297.17 g/mol
Exact Mass296.03
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile
SMILESN#CC(NC1CCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C13H14BrFN2/c14-9-5-6-11(12(15)7-9)13(8-16)17-10-3-1-2-4-10/h5-7,10,13,17H,1-4H2
InChIKeyFELQLDAKEBOTCH-UHFFFAOYSA-N
XLogP3.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile
CID 54893948
2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile
CID 43151679
2-(cyclopentylamino)-2-(2,4,5-trifluorophenyl)acetonitrile
CID 114058035
2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
CID 54894619
2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
CID 43364618
2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile
CID 114054084
2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile
CID 61002469
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933
2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetamide
CID 54894373
2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide
CID 54894057
(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
CID 96691275
2-(cycloheptylamino)-2-(3,4,5-trifluorophenyl)acetonitrile
CID 63078021

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile (CID 54894227) is 2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile is N#CC(NC1CCCC1)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile?
The InChIKey is FELQLDAKEBOTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2/c14-9-5-6-11(12(15)7-9)13(8-16)17-10-3-1-2-4-10/h5-7,10,13,17H,1-4H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile?
2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile has a molecular weight of 297.17 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile is sourced from PubChem (CID 54894227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).