3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide

C12H8ClN3O — CID 2839182

IUPAC3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide
SMILESN#CC1(C#N)C(C(N)=O)C1c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClN3O/c13-8-3-1-7(2-4-8)9-10(11(16)17)12(9,5-14)6-15/h1-4,9-10H,(H2,16,17)
InChIKeyJYQNCAXINRLPRS-UHFFFAOYSA-N
MW245.67 g/mol
LogP1.57
Rot. Bonds2

About 3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide

3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide (PubChem CID 2839182) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide
PubChem CID2839182
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide
SMILESN#CC1(C#N)C(C(N)=O)C1c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClN3O/c13-8-3-1-7(2-4-8)9-10(11(16)17)12(9,5-14)6-15/h1-4,9-10H,(H2,16,17)
InChIKeyJYQNCAXINRLPRS-UHFFFAOYSA-N
XLogP1.57
TPSA90.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chlorophenyl)Acetamide
CID 643286
2-(4-Chlorophenyl)-3-methylbutanamide
CID 12898176
2-(4-Chlorophenyl)cyclopropanecarbohydrazide
CID 4283374
2,2-Dicyano-3-phenylcyclopropanecarboxamide
CID 2839473
N-[2-(4-Chloro-phenyl)-cyclopropanecarbonyl]-guanidine
CID 10893528
1-(3-Chlorophenyl)cyclopropane-1-carboxamide
CID 17897827
(1R,3S)-3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide
CID 684699
Benzeneacetamide, 4-chloro-alpha-(4-chlorophenyl)-
CID 182699
3-(4-Chlorophenyl)pentanediamide
CID 18793588
1-(2-Chlorophenyl)cyclopropane-1-carboxamide
CID 53016792
(R)-2-(4-chloro-phenyl)-propionamide
CID 11052302
(2R)-2-(4-chlorophenyl)pent-4-enamide
CID 11435754

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide (CID 2839182) is 3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide is N#CC1(C#N)C(C(N)=O)C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide?
The InChIKey is JYQNCAXINRLPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-8-3-1-7(2-4-8)9-10(11(16)17)12(9,5-14)6-15/h1-4,9-10H,(H2,16,17).
What are the key properties of 3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide?
3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide has a molecular weight of 245.67 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,2-dicyanocyclopropane-1-carboxamide is sourced from PubChem (CID 2839182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).