1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide

C13H12Cl2N2O — CID 51246250

IUPAC1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cccc(Cl)c2Cl)CCCC1
InChIInChI=1S/C13H12Cl2N2O/c14-9-4-3-5-10(11(9)15)17-12(18)13(8-16)6-1-2-7-13/h3-5H,1-2,6-7H2,(H,17,18)
InChIKeyFDCQVLCPVSNXJU-UHFFFAOYSA-N
MW283.16 g/mol
LogP4.02
Rot. Bonds2

About 1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide

1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide (PubChem CID 51246250) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
PubChem CID51246250
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cccc(Cl)c2Cl)CCCC1
InChIInChI=1S/C13H12Cl2N2O/c14-9-4-3-5-10(11(9)15)17-12(18)13(8-16)6-1-2-7-13/h3-5H,1-2,6-7H2,(H,17,18)
InChIKeyFDCQVLCPVSNXJU-UHFFFAOYSA-N
XLogP4.02
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide (CID 51246250) is 1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide is N#CC1(C(=O)Nc2cccc(Cl)c2Cl)CCCC1.
What is the InChIKey of 1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide?
The InChIKey is FDCQVLCPVSNXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c14-9-4-3-5-10(11(9)15)17-12(18)13(8-16)6-1-2-7-13/h3-5H,1-2,6-7H2,(H,17,18).
What are the key properties of 1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide?
1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide has a molecular weight of 283.16 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 51246250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).