2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide

C9H7ClFN3 — CID 169365118

IUPAC2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide
SMILESN#Cc1ccc(F)c(/N=C(/N)CCl)c1
InChIInChI=1S/C9H7ClFN3/c10-4-9(13)14-8-3-6(5-12)1-2-7(8)11/h1-3H,4H2,(H2,13,14)
InChIKeyYIYIZEOBLZUJLE-UHFFFAOYSA-N
MW211.63 g/mol
LogP1.92
Rot. Bonds2

About 2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide

2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide (PubChem CID 169365118) has the molecular formula C9H7ClFN3 and a molecular weight of 211.63 g/mol. Its IUPAC name is 2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide
PubChem CID169365118
Molecular FormulaC9H7ClFN3
Molecular Weight211.63 g/mol
Exact Mass211.03
IUPAC Name2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide
SMILESN#Cc1ccc(F)c(/N=C(/N)CCl)c1
InChIInChI=1S/C9H7ClFN3/c10-4-9(13)14-8-3-6(5-12)1-2-7(8)11/h1-3H,4H2,(H2,13,14)
InChIKeyYIYIZEOBLZUJLE-UHFFFAOYSA-N
XLogP1.92
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.63
LogP ≤ 51.92
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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Related Compounds

2-chloro-N'-(3-cyanophenyl)ethanimidamide
CID 151835289
2-chloro-N'-(2,3,4-trifluorophenyl)ethanimidamide
CID 169364913
[3-[(1-amino-2-chloroethylidene)amino]-4-fluorophenyl] acetate
CID 169368794
2-chloro-N'-(2,6-dichloro-4-cyanophenyl)ethanimidamide
CID 169369477
2-chloro-N'-(4,5-dichloro-2-cyanophenyl)ethanimidamide
CID 169369229
N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide
CID 169369696
5-cyano-2-fluorobenzamide;hydrochloride
CID 165153570
2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide
CID 169365262
2-chloro-N'-(2-chloro-4-cyano-6-iodophenyl)ethanimidamide
CID 169366175
methyl 3-[(1-amino-2-chloroethylidene)amino]-2,6-difluorobenzoate
CID 169365406
2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide
CID 169369151
2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169366975

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide (CID 169365118) is 2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide is N#Cc1ccc(F)c(/N=C(/N)CCl)c1.
What is the InChIKey of 2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide?
The InChIKey is YIYIZEOBLZUJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3/c10-4-9(13)14-8-3-6(5-12)1-2-7(8)11/h1-3H,4H2,(H2,13,14).
What are the key properties of 2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide?
2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide has a molecular weight of 211.63 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide is sourced from PubChem (CID 169365118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).