2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide

C10H9ClF4N2 — CID 169366975

IUPAC2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide
SMILESCc1cc(/N=C(/N)CCl)c(F)cc1C(F)(F)F
InChIInChI=1S/C10H9ClF4N2/c1-5-2-8(17-9(16)4-11)7(12)3-6(5)10(13,14)15/h2-3H,4H2,1H3,(H2,16,17)
InChIKeyGBAFOYDFBKKPDW-UHFFFAOYSA-N
MW268.64 g/mol
LogP3.38
Rot. Bonds2

About 2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide

2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide (PubChem CID 169366975) has the molecular formula C10H9ClF4N2 and a molecular weight of 268.64 g/mol. Its IUPAC name is 2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide
PubChem CID169366975
Molecular FormulaC10H9ClF4N2
Molecular Weight268.64 g/mol
Exact Mass268.04
IUPAC Name2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide
SMILESCc1cc(/N=C(/N)CCl)c(F)cc1C(F)(F)F
InChIInChI=1S/C10H9ClF4N2/c1-5-2-8(17-9(16)4-11)7(12)3-6(5)10(13,14)15/h2-3H,4H2,1H3,(H2,16,17)
InChIKeyGBAFOYDFBKKPDW-UHFFFAOYSA-N
XLogP3.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.64
LogP ≤ 53.38
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'}

Analyze 2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169365215
2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169366173
2-chloro-N'-(5-chloro-2,4-difluorophenyl)ethanimidamide
CID 169365117
2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide
CID 169367038
2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide
CID 169365282
2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
CID 169368780
methyl N-cyano-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]carbamimidothioate
CID 169362061
2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide
CID 169364929
N'-(5-bromo-2-fluoro-4-methylsulfonylphenyl)-2-chloroethanimidamide
CID 169368286
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317
2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide
CID 169366726
2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide
CID 169368149

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide (CID 169366975) is 2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide is Cc1cc(/N=C(/N)CCl)c(F)cc1C(F)(F)F.
What is the InChIKey of 2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide?
The InChIKey is GBAFOYDFBKKPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4N2/c1-5-2-8(17-9(16)4-11)7(12)3-6(5)10(13,14)15/h2-3H,4H2,1H3,(H2,16,17).
What are the key properties of 2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide?
2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide has a molecular weight of 268.64 g/mol, XLogP of 3.38, 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-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide is sourced from PubChem (CID 169366975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).