2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide

C14H11Cl2N3 — CID 11392192

IUPAC2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide
SMILES[H]/N=C(N)/C(=N\c1ccccc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2N3/c15-11-8-4-7-10(12(11)16)13(14(17)18)19-9-5-2-1-3-6-9/h1-8H,(H3,17,18)/b19-13-
InChIKeyGEMKQXQPVDRSRF-UYRXBGFRSA-N
MW292.17 g/mol
LogP4.05
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide

2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide (PubChem CID 11392192) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide
PubChem CID11392192
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide
SMILES[H]/N=C(N)/C(=N\c1ccccc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2N3/c15-11-8-4-7-10(12(11)16)13(14(17)18)19-9-5-2-1-3-6-9/h1-8H,(H3,17,18)/b19-13-
InChIKeyGEMKQXQPVDRSRF-UYRXBGFRSA-N
XLogP4.05
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide?
The IUPAC name of 2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide (CID 11392192) is 2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide?
The canonical SMILES for 2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide is [H]/N=C(N)/C(=N\c1ccccc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide?
The InChIKey is GEMKQXQPVDRSRF-UYRXBGFRSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c15-11-8-4-7-10(12(11)16)13(14(17)18)19-9-5-2-1-3-6-9/h1-8H,(H3,17,18)/b19-13-.
What are the key properties of 2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide?
2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide has a molecular weight of 292.17 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide is sourced from PubChem (CID 11392192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).