2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide

C8H5Br2ClF2N2 — CID 169365748

IUPAC2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide
SMILESN/C(CCl)=N/c1c(F)cc(Br)c(F)c1Br
InChIInChI=1S/C8H5Br2ClF2N2/c9-3-1-4(12)8(6(10)7(3)13)15-5(14)2-11/h1H,2H2,(H2,14,15)
InChIKeyPIPAZDWQURWTQD-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.72
Rot. Bonds2

About 2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide

2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide (PubChem CID 169365748) has the molecular formula C8H5Br2ClF2N2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide
PubChem CID169365748
Molecular FormulaC8H5Br2ClF2N2
Molecular Weight362.40 g/mol
Exact Mass359.85
IUPAC Name2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide
SMILESN/C(CCl)=N/c1c(F)cc(Br)c(F)c1Br
InChIInChI=1S/C8H5Br2ClF2N2/c9-3-1-4(12)8(6(10)7(3)13)15-5(14)2-11/h1H,2H2,(H2,14,15)
InChIKeyPIPAZDWQURWTQD-UHFFFAOYSA-N
XLogP3.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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-chloro-2,6-difluorophenyl)ethanimidamide
CID 169365262
N'-(2-bromo-4-tert-butyl-6-fluorophenyl)-2-chloroethanimidamide
CID 169367535
N'-(2-bromo-3,4-difluoro-6-nitrophenyl)-2-chloroethanimidamide
CID 169369118
2-chloro-N'-(2,4,6-tribromo-3-methylphenyl)ethanimidamide
CID 169365470
2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide
CID 169366726
2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide
CID 169369176
N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide
CID 169365515
2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide
CID 169365391
N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
CID 169369458
2-chloro-N'-(2,6-dibromo-4-propan-2-ylphenyl)ethanimidamide
CID 169365195
N'-(2-bromo-4-chloro-6-methylphenyl)-2-chloroethanimidamide
CID 169365373
2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide
CID 169367099

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide (CID 169365748) is 2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide is N/C(CCl)=N/c1c(F)cc(Br)c(F)c1Br.
What is the InChIKey of 2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide?
The InChIKey is PIPAZDWQURWTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2ClF2N2/c9-3-1-4(12)8(6(10)7(3)13)15-5(14)2-11/h1H,2H2,(H2,14,15).
What are the key properties of 2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide?
2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide has a molecular weight of 362.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide is sourced from PubChem (CID 169365748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).