2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide

C8H6Cl2F2N2 — CID 169369622

IUPAC2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide
SMILESN/C(CCl)=N/c1cc(Cl)cc(F)c1F
InChIInChI=1S/C8H6Cl2F2N2/c9-3-7(13)14-6-2-4(10)1-5(11)8(6)12/h1-2H,3H2,(H2,13,14)
InChIKeyONQABOCDZHOLKE-UHFFFAOYSA-N
MW239.05 g/mol
LogP2.85
Rot. Bonds2

About 2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide

2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide (PubChem CID 169369622) has the molecular formula C8H6Cl2F2N2 and a molecular weight of 239.05 g/mol. Its IUPAC name is 2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide
PubChem CID169369622
Molecular FormulaC8H6Cl2F2N2
Molecular Weight239.05 g/mol
Exact Mass237.99
IUPAC Name2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide
SMILESN/C(CCl)=N/c1cc(Cl)cc(F)c1F
InChIInChI=1S/C8H6Cl2F2N2/c9-3-7(13)14-6-2-4(10)1-5(11)8(6)12/h1-2H,3H2,(H2,13,14)
InChIKeyONQABOCDZHOLKE-UHFFFAOYSA-N
XLogP2.85
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.05
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide
CID 169365262
2-chloro-N'-(2,3,4-trifluorophenyl)ethanimidamide
CID 169364913
2-chloro-N'-(5-chloro-2,4-difluorophenyl)ethanimidamide
CID 169365117
2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169366173
2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide
CID 169369617
2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide
CID 169367729
2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide
CID 169365118
2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
CID 169368780
2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide
CID 169366726
2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169365215
2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide
CID 169367099
2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide
CID 169365881

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide (CID 169369622) is 2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide is N/C(CCl)=N/c1cc(Cl)cc(F)c1F.
What is the InChIKey of 2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide?
The InChIKey is ONQABOCDZHOLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F2N2/c9-3-7(13)14-6-2-4(10)1-5(11)8(6)12/h1-2H,3H2,(H2,13,14).
What are the key properties of 2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide?
2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide has a molecular weight of 239.05 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide is sourced from PubChem (CID 169369622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).