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

C11H8BrFN2O — CID 80598354

IUPACN-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cc(Br)ccc2F)CC1
InChIInChI=1S/C11H8BrFN2O/c12-7-1-2-8(13)9(5-7)15-10(16)11(6-14)3-4-11/h1-2,5H,3-4H2,(H,15,16)
InChIKeyYOAQRDKSKKKNKU-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.83
Rot. Bonds2

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

N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide (PubChem CID 80598354) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
PubChem CID80598354
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC NameN-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cc(Br)ccc2F)CC1
InChIInChI=1S/C11H8BrFN2O/c12-7-1-2-8(13)9(5-7)15-10(16)11(6-14)3-4-11/h1-2,5H,3-4H2,(H,15,16)
InChIKeyYOAQRDKSKKKNKU-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-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458910
N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 107625940
1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 63037709
1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 103586091
N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 51224336
N-(5-bromo-2-cyanophenyl)-4-cyanooxane-4-carboxamide
CID 104880272
1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 80598733
N-(3-bromo-4-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 104778651
1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide
CID 80592357
3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide
CID 115185546
N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 114001899
N-(2-bromo-4-nitrophenyl)-1-cyanocyclopropane-1-carboxamide
CID 114003676

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide (CID 80598354) is N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide is N#CC1(C(=O)Nc2cc(Br)ccc2F)CC1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide?
The InChIKey is YOAQRDKSKKKNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c12-7-1-2-8(13)9(5-7)15-10(16)11(6-14)3-4-11/h1-2,5H,3-4H2,(H,15,16).
What are the key properties of N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide?
N-(5-bromo-2-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-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 80598354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).