2-(2-bromo-3-chlorophenyl)ethanimidamide

C8H8BrClN2 — CID 141257602

IUPAC2-(2-bromo-3-chlorophenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cccc(Cl)c1Br
InChIInChI=1S/C8H8BrClN2/c9-8-5(4-7(11)12)2-1-3-6(8)10/h1-3H,4H2,(H3,11,12)
InChIKeyTZLVCWCDOWBMMC-UHFFFAOYSA-N
MW247.52 g/mol
LogP2.58
Rot. Bonds2

About 2-(2-bromo-3-chlorophenyl)ethanimidamide

2-(2-bromo-3-chlorophenyl)ethanimidamide (PubChem CID 141257602) has the molecular formula C8H8BrClN2 and a molecular weight of 247.52 g/mol. Its IUPAC name is 2-(2-bromo-3-chlorophenyl)ethanimidamide.

Molecular Properties

Compound Name2-(2-bromo-3-chlorophenyl)ethanimidamide
PubChem CID141257602
Molecular FormulaC8H8BrClN2
Molecular Weight247.52 g/mol
Exact Mass245.96
IUPAC Name2-(2-bromo-3-chlorophenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cccc(Cl)c1Br
InChIInChI=1S/C8H8BrClN2/c9-8-5(4-7(11)12)2-1-3-6(8)10/h1-3H,4H2,(H3,11,12)
InChIKeyTZLVCWCDOWBMMC-UHFFFAOYSA-N
XLogP2.58
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dichlorophenyl)ethanimidamide chloride
CID 45108783
2-(3-chloro-2-methoxyphenyl)ethanimidamide
CID 83676619
1-(2-bromo-3-chlorophenyl)propan-2-one
CID 83724712
2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide
CID 103288606
2-(3-fluoro-2-hydroxyphenyl)ethanimidamide
CID 83676622
1,5-bis(2-bromo-3-chlorophenyl)pentan-3-one
CID 150068742
2-(2,5-dibromophenyl)ethanimidamide
CID 141257590
1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine
CID 117405881
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-phenylethanimidamide
CID 27787
2-(4-bromophenyl)ethanimidamide;hydrochloride
CID 21499748
2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 91755508

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-chlorophenyl)ethanimidamide?
The IUPAC name of 2-(2-bromo-3-chlorophenyl)ethanimidamide (CID 141257602) is 2-(2-bromo-3-chlorophenyl)ethanimidamide.
What is the SMILES notation for 2-(2-bromo-3-chlorophenyl)ethanimidamide?
The canonical SMILES for 2-(2-bromo-3-chlorophenyl)ethanimidamide is [H]/N=C(\N)Cc1cccc(Cl)c1Br.
What is the InChIKey of 2-(2-bromo-3-chlorophenyl)ethanimidamide?
The InChIKey is TZLVCWCDOWBMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2/c9-8-5(4-7(11)12)2-1-3-6(8)10/h1-3H,4H2,(H3,11,12).
What are the key properties of 2-(2-bromo-3-chlorophenyl)ethanimidamide?
2-(2-bromo-3-chlorophenyl)ethanimidamide has a molecular weight of 247.52 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-chlorophenyl)ethanimidamide is sourced from PubChem (CID 141257602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).