N-(4-bromo-2-fluorophenyl)-1-cyanocyclopentane-1-carboxamide

C13H12BrFN2O — CID 29240915

IUPACN-(4-bromo-2-fluorophenyl)-1-cyanocyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(Br)cc2F)CCCC1
InChIInChI=1S/C13H12BrFN2O/c14-9-3-4-11(10(15)7-9)17-12(18)13(8-16)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,17,18)
InChIKeyZTDVWBYWAXWIGX-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.61
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-1-cyanocyclopentane-1-carboxamide

N-(4-bromo-2-fluorophenyl)-1-cyanocyclopentane-1-carboxamide (PubChem CID 29240915) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-cyanocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-cyanocyclopentane-1-carboxamide
PubChem CID29240915
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-cyanocyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(Br)cc2F)CCCC1
InChIInChI=1S/C13H12BrFN2O/c14-9-3-4-11(10(15)7-9)17-12(18)13(8-16)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,17,18)
InChIKeyZTDVWBYWAXWIGX-UHFFFAOYSA-N
XLogP3.61
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-cyanocyclopentane-1-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-cyanocyclopentane-1-carboxamide (CID 29240915) is N-(4-bromo-2-fluorophenyl)-1-cyanocyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-cyanocyclopentane-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-cyanocyclopentane-1-carboxamide is N#CC1(C(=O)Nc2ccc(Br)cc2F)CCCC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-cyanocyclopentane-1-carboxamide?
The InChIKey is ZTDVWBYWAXWIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c14-9-3-4-11(10(15)7-9)17-12(18)13(8-16)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,17,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-cyanocyclopentane-1-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-cyanocyclopentane-1-carboxamide has a molecular weight of 311.15 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-cyanocyclopentane-1-carboxamide is sourced from PubChem (CID 29240915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).