N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide

C11H7ClF2N2O — CID 83087291

IUPACN-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2c(F)cc(F)cc2Cl)CC1
InChIInChI=1S/C11H7ClF2N2O/c12-7-3-6(13)4-8(14)9(7)16-10(17)11(5-15)1-2-11/h3-4H,1-2H2,(H,16,17)
InChIKeyWQTNATKGVVMCPN-UHFFFAOYSA-N
MW256.64 g/mol
LogP2.86
Rot. Bonds2

About N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide

N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide (PubChem CID 83087291) has the molecular formula C11H7ClF2N2O and a molecular weight of 256.64 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide
PubChem CID83087291
Molecular FormulaC11H7ClF2N2O
Molecular Weight256.64 g/mol
Exact Mass256.02
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2c(F)cc(F)cc2Cl)CC1
InChIInChI=1S/C11H7ClF2N2O/c12-7-3-6(13)4-8(14)9(7)16-10(17)11(5-15)1-2-11/h3-4H,1-2H2,(H,16,17)
InChIKeyWQTNATKGVVMCPN-UHFFFAOYSA-N
XLogP2.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide
CID 80592357
N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 107366211
1-cyano-3-methyl-N-(2,4,6-trifluorophenyl)cyclobutane-1-carboxamide
CID 80592255
1-amino-N-(2-chloro-4,6-difluorophenyl)cyclopentane-1-carboxamide
CID 83087463
1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 83087352
1-(2-chloro-4,6-difluorophenyl)-3-methylurea
CID 21161536
N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 83088271
N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 107528618
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104597189
1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 80598456
1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide
CID 115181388
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyanocyclopropane-1-carboxamide
CID 80591814

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide (CID 83087291) is N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide is N#CC1(C(=O)Nc2c(F)cc(F)cc2Cl)CC1.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide?
The InChIKey is WQTNATKGVVMCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O/c12-7-3-6(13)4-8(14)9(7)16-10(17)11(5-15)1-2-11/h3-4H,1-2H2,(H,16,17).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide?
N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide has a molecular weight of 256.64 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 83087291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).