N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide

C11H8BrFN2O — CID 107625940

IUPACN-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cc(F)ccc2Br)CC1
InChIInChI=1S/C11H8BrFN2O/c12-8-2-1-7(13)5-9(8)15-10(16)11(6-14)3-4-11/h1-2,5H,3-4H2,(H,15,16)
InChIKeyMWVJBYGNQSVGHM-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.83
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide

N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide (PubChem CID 107625940) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
PubChem CID107625940
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC NameN-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cc(F)ccc2Br)CC1
InChIInChI=1S/C11H8BrFN2O/c12-8-2-1-7(13)5-9(8)15-10(16)11(6-14)3-4-11/h1-2,5H,3-4H2,(H,15,16)
InChIKeyMWVJBYGNQSVGHM-UHFFFAOYSA-N
XLogP2.83
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 107528618
N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072
N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 80598354
N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 114001899
N-(2-bromo-4-nitrophenyl)-1-cyanocyclopropane-1-carboxamide
CID 114003676
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310
N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458910
1-(aminomethyl)-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide
CID 107625627
1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide
CID 80592357
1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 80598733
(2-bromo-5-fluorophenyl)urea
CID 99639427
1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 103586091

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide (CID 107625940) is N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide is N#CC1(C(=O)Nc2cc(F)ccc2Br)CC1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide?
The InChIKey is MWVJBYGNQSVGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c12-8-2-1-7(13)5-9(8)15-10(16)11(6-14)3-4-11/h1-2,5H,3-4H2,(H,15,16).
What are the key properties of N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide?
N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide has a molecular weight of 283.10 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 107625940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).