2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide

C14H19Cl2N3O2 — CID 78863893

IUPAC2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide
SMILESCc1nc(C2(NC(=O)C3CC3(Cl)Cl)CCCCCC2)no1
InChIInChI=1S/C14H19Cl2N3O2/c1-9-17-12(19-21-9)13(6-4-2-3-5-7-13)18-11(20)10-8-14(10,15)16/h10H,2-8H2,1H3,(H,18,20)
InChIKeyGHZONZLITKEUDO-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.24
Rot. Bonds3

About 2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide

2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide (PubChem CID 78863893) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide
PubChem CID78863893
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC Name2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide
SMILESCc1nc(C2(NC(=O)C3CC3(Cl)Cl)CCCCCC2)no1
InChIInChI=1S/C14H19Cl2N3O2/c1-9-17-12(19-21-9)13(6-4-2-3-5-7-13)18-11(20)10-8-14(10,15)16/h10H,2-8H2,1H3,(H,18,20)
InChIKeyGHZONZLITKEUDO-UHFFFAOYSA-N
XLogP3.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide (CID 78863893) is 2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide is Cc1nc(C2(NC(=O)C3CC3(Cl)Cl)CCCCCC2)no1.
What is the InChIKey of 2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide?
The InChIKey is GHZONZLITKEUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2/c1-9-17-12(19-21-9)13(6-4-2-3-5-7-13)18-11(20)10-8-14(10,15)16/h10H,2-8H2,1H3,(H,18,20).
What are the key properties of 2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide?
2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide has a molecular weight of 332.23 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78863893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).