N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide

C12H14Cl2N2 — CID 63178907

IUPACN'-(3,4-dichlorophenyl)cyclopentanecarboximidamide
SMILESN/C(=N\c1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C12H14Cl2N2/c13-10-6-5-9(7-11(10)14)16-12(15)8-3-1-2-4-8/h5-8H,1-4H2,(H2,15,16)
InChIKeyXEUMYVMFFMEYBZ-UHFFFAOYSA-N
MW257.16 g/mol
LogP4.17
Rot. Bonds2

About N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide

N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide (PubChem CID 63178907) has the molecular formula C12H14Cl2N2 and a molecular weight of 257.16 g/mol. Its IUPAC name is N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(3,4-dichlorophenyl)cyclopentanecarboximidamide
PubChem CID63178907
Molecular FormulaC12H14Cl2N2
Molecular Weight257.16 g/mol
Exact Mass256.05
IUPAC NameN'-(3,4-dichlorophenyl)cyclopentanecarboximidamide
SMILESN/C(=N\c1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C12H14Cl2N2/c13-10-6-5-9(7-11(10)14)16-12(15)8-3-1-2-4-8/h5-8H,1-4H2,(H2,15,16)
InChIKeyXEUMYVMFFMEYBZ-UHFFFAOYSA-N
XLogP4.17
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide?
The IUPAC name of N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide (CID 63178907) is N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide is N/C(=N\c1ccc(Cl)c(Cl)c1)C1CCCC1.
What is the InChIKey of N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide?
The InChIKey is XEUMYVMFFMEYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2/c13-10-6-5-9(7-11(10)14)16-12(15)8-3-1-2-4-8/h5-8H,1-4H2,(H2,15,16).
What are the key properties of N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide?
N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide has a molecular weight of 257.16 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide is sourced from PubChem (CID 63178907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).