2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide

C11H11ClN2O — CID 169369108

IUPAC2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc2c(c1)CC(=O)C2
InChIInChI=1S/C11H11ClN2O/c12-6-11(13)14-9-2-1-7-4-10(15)5-8(7)3-9/h1-3H,4-6H2,(H2,13,14)
InChIKeyUWCLVTNSCZUDPF-UHFFFAOYSA-N
MW222.67 g/mol
LogP1.58
Rot. Bonds2

About 2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide

2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide (PubChem CID 169369108) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide
PubChem CID169369108
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc2c(c1)CC(=O)C2
InChIInChI=1S/C11H11ClN2O/c12-6-11(13)14-9-2-1-7-4-10(15)5-8(7)3-9/h1-3H,4-6H2,(H2,13,14)
InChIKeyUWCLVTNSCZUDPF-UHFFFAOYSA-N
XLogP1.58
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide (CID 169369108) is 2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide is N/C(CCl)=N/c1ccc2c(c1)CC(=O)C2.
What is the InChIKey of 2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide?
The InChIKey is UWCLVTNSCZUDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-6-11(13)14-9-2-1-7-4-10(15)5-8(7)3-9/h1-3H,4-6H2,(H2,13,14).
What are the key properties of 2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide?
2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide has a molecular weight of 222.67 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide is sourced from PubChem (CID 169369108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).