2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide

C10H12ClFN2 — CID 169368780

IUPAC2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
SMILESCc1ccc(/N=C(/N)CCl)c(C)c1F
InChIInChI=1S/C10H12ClFN2/c1-6-3-4-8(7(2)10(6)12)14-9(13)5-11/h3-4H,5H2,1-2H3,(H2,13,14)
InChIKeyPRSNOPGKHOTJTL-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.67
Rot. Bonds2

About 2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide

2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide (PubChem CID 169368780) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is 2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
PubChem CID169368780
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
SMILESCc1ccc(/N=C(/N)CCl)c(C)c1F
InChIInChI=1S/C10H12ClFN2/c1-6-3-4-8(7(2)10(6)12)14-9(13)5-11/h3-4H,5H2,1-2H3,(H2,13,14)
InChIKeyPRSNOPGKHOTJTL-UHFFFAOYSA-N
XLogP2.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.67
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'-(2,3,4-trifluorophenyl)ethanimidamide
CID 169364913
2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide
CID 169366726
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317
2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide
CID 169369825
N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
CID 169369563
2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide
CID 169364929
2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide
CID 169367126
methyl 3-[(1-amino-2-chloroethylidene)amino]-2,6-difluorobenzoate
CID 169365406
2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169366975
2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169366173
2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide
CID 169367592
2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169365215

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide (CID 169368780) is 2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide is Cc1ccc(/N=C(/N)CCl)c(C)c1F.
What is the InChIKey of 2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide?
The InChIKey is PRSNOPGKHOTJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2/c1-6-3-4-8(7(2)10(6)12)14-9(13)5-11/h3-4H,5H2,1-2H3,(H2,13,14).
What are the key properties of 2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide?
2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide has a molecular weight of 214.67 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide is sourced from PubChem (CID 169368780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).