2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide

C8H7Cl2FN2 — CID 169369617

IUPAC2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H7Cl2FN2/c9-4-8(12)13-5-1-2-7(11)6(10)3-5/h1-3H,4H2,(H2,12,13)
InChIKeyPUSJXLMAHDWWDT-UHFFFAOYSA-N
MW221.06 g/mol
LogP2.71
Rot. Bonds2

About 2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide

2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide (PubChem CID 169369617) has the molecular formula C8H7Cl2FN2 and a molecular weight of 221.06 g/mol. Its IUPAC name is 2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide
PubChem CID169369617
Molecular FormulaC8H7Cl2FN2
Molecular Weight221.06 g/mol
Exact Mass220.00
IUPAC Name2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H7Cl2FN2/c9-4-8(12)13-5-1-2-7(11)6(10)3-5/h1-3H,4H2,(H2,12,13)
InChIKeyPUSJXLMAHDWWDT-UHFFFAOYSA-N
XLogP2.71
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.06
LogP ≤ 52.71
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'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide
CID 169367099
2-chloro-N'-(5-chloro-2,4-difluorophenyl)ethanimidamide
CID 169365117
2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide
CID 169365262
2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide
CID 169368709
2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide
CID 169365670
1-N'-(3-chloro-4-fluorophenyl)-3-N'-methyl-2-methyliminopropanediimidamide
CID 118983766
N-[5-[(1-amino-2-chloroethylidene)amino]-2-fluorophenyl]-2-methylpropanamide
CID 169367913
2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide
CID 169368937
N-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide
CID 169367851
2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide
CID 169369622

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide (CID 169369617) is 2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide is N/C(CCl)=N/c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide?
The InChIKey is PUSJXLMAHDWWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FN2/c9-4-8(12)13-5-1-2-7(11)6(10)3-5/h1-3H,4H2,(H2,12,13).
What are the key properties of 2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide?
2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide has a molecular weight of 221.06 g/mol, XLogP of 2.71, 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-chloro-4-fluorophenyl)ethanimidamide is sourced from PubChem (CID 169369617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).