2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide

C9H9ClF2N2 — CID 169366726

IUPAC2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide
SMILESCc1ccc(F)c(/N=C(/N)CCl)c1F
InChIInChI=1S/C9H9ClF2N2/c1-5-2-3-6(11)9(8(5)12)14-7(13)4-10/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyHGHYFFLXCTVWHP-UHFFFAOYSA-N
MW218.63 g/mol
LogP2.50
Rot. Bonds2

About 2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide

2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide (PubChem CID 169366726) has the molecular formula C9H9ClF2N2 and a molecular weight of 218.63 g/mol. Its IUPAC name is 2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide
PubChem CID169366726
Molecular FormulaC9H9ClF2N2
Molecular Weight218.63 g/mol
Exact Mass218.04
IUPAC Name2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide
SMILESCc1ccc(F)c(/N=C(/N)CCl)c1F
InChIInChI=1S/C9H9ClF2N2/c1-5-2-3-6(11)9(8(5)12)14-7(13)4-10/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyHGHYFFLXCTVWHP-UHFFFAOYSA-N
XLogP2.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.63
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-(4-fluoro-3-methylphenyl)ethanimidamide
CID 169364929
2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
CID 169368780
2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide
CID 169365262
2-chloro-N'-(2,3,4-trifluorophenyl)ethanimidamide
CID 169364913
2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide
CID 169364909
N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide
CID 169365280
N'-(2-bromo-4-chloro-6-methylphenyl)-2-chloroethanimidamide
CID 169365373
2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide
CID 169365748
N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide
CID 169365515
2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide
CID 169369617
2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide
CID 169369622
2-[(1-amino-2-chloroethylidene)amino]-6-chloro-3-methylbenzoic acid
CID 169366705

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide (CID 169366726) is 2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide is Cc1ccc(F)c(/N=C(/N)CCl)c1F.
What is the InChIKey of 2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide?
The InChIKey is HGHYFFLXCTVWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2/c1-5-2-3-6(11)9(8(5)12)14-7(13)4-10/h2-3H,4H2,1H3,(H2,13,14).
What are the key properties of 2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide?
2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide has a molecular weight of 218.63 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide is sourced from PubChem (CID 169366726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).