N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide

C11H8ClFN2O — CID 107366211

IUPACN-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C11H8ClFN2O/c12-7-3-8(13)5-9(4-7)15-10(16)11(6-14)1-2-11/h3-5H,1-2H2,(H,15,16)
InChIKeyPIXLWCCJLLKVBF-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.72
Rot. Bonds2

About N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide

N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide (PubChem CID 107366211) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
PubChem CID107366211
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC NameN-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C11H8ClFN2O/c12-7-3-8(13)5-9(4-7)15-10(16)11(6-14)1-2-11/h3-5H,1-2H2,(H,15,16)
InChIKeyPIXLWCCJLLKVBF-UHFFFAOYSA-N
XLogP2.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 80598456
N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 83087291
1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide
CID 80592357
N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 107528618
1-cyano-N-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 80599421
N-(3-bromo-4-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 104778651
1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 62812690
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyanocyclopropane-1-carboxamide
CID 80599070
N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 80598354
N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 107625940
2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide
CID 107365940
1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 80599319

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide (CID 107366211) is N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide is N#CC1(C(=O)Nc2cc(F)cc(Cl)c2)CC1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide?
The InChIKey is PIXLWCCJLLKVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-7-3-8(13)5-9(4-7)15-10(16)11(6-14)1-2-11/h3-5H,1-2H2,(H,15,16).
What are the key properties of N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide?
N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide has a molecular weight of 238.65 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 107366211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).