4-bromo-2-(cyclopentylamino)-6-fluorobenzonitrile

C12H12BrFN2 — CID 59828649

IUPAC4-bromo-2-(cyclopentylamino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cc(Br)cc1NC1CCCC1
InChIInChI=1S/C12H12BrFN2/c13-8-5-11(14)10(7-15)12(6-8)16-9-3-1-2-4-9/h5-6,9,16H,1-4H2
InChIKeyAFEPTBXWLODQOP-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.81
Rot. Bonds2

About 4-bromo-2-(cyclopentylamino)-6-fluorobenzonitrile

4-bromo-2-(cyclopentylamino)-6-fluorobenzonitrile (PubChem CID 59828649) has the molecular formula C12H12BrFN2 and a molecular weight of 283.14 g/mol. Its IUPAC name is 4-bromo-2-(cyclopentylamino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name4-bromo-2-(cyclopentylamino)-6-fluorobenzonitrile
PubChem CID59828649
Molecular FormulaC12H12BrFN2
Molecular Weight283.14 g/mol
Exact Mass282.02
IUPAC Name4-bromo-2-(cyclopentylamino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cc(Br)cc1NC1CCCC1
InChIInChI=1S/C12H12BrFN2/c13-8-5-11(14)10(7-15)12(6-8)16-9-3-1-2-4-9/h5-6,9,16H,1-4H2
InChIKeyAFEPTBXWLODQOP-UHFFFAOYSA-N
XLogP3.81
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopentylamino)-6-fluorobenzonitrile?
The IUPAC name of 4-bromo-2-(cyclopentylamino)-6-fluorobenzonitrile (CID 59828649) is 4-bromo-2-(cyclopentylamino)-6-fluorobenzonitrile.
What is the SMILES notation for 4-bromo-2-(cyclopentylamino)-6-fluorobenzonitrile?
The canonical SMILES for 4-bromo-2-(cyclopentylamino)-6-fluorobenzonitrile is N#Cc1c(F)cc(Br)cc1NC1CCCC1.
What is the InChIKey of 4-bromo-2-(cyclopentylamino)-6-fluorobenzonitrile?
The InChIKey is AFEPTBXWLODQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2/c13-8-5-11(14)10(7-15)12(6-8)16-9-3-1-2-4-9/h5-6,9,16H,1-4H2.
What are the key properties of 4-bromo-2-(cyclopentylamino)-6-fluorobenzonitrile?
4-bromo-2-(cyclopentylamino)-6-fluorobenzonitrile has a molecular weight of 283.14 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclopentylamino)-6-fluorobenzonitrile is sourced from PubChem (CID 59828649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).