N'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride

C8H9BrCl2N2 — CID 68635443

IUPACN'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride
SMILESC/C(N)=N\c1cc(Cl)cc(Br)c1.Cl
InChIInChI=1S/C8H8BrClN2.ClH/c1-5(11)12-8-3-6(9)2-7(10)4-8;/h2-4H,1H3,(H2,11,12);1H
InChIKeyXIASSTMRCMZTSB-UHFFFAOYSA-N
MW283.98 g/mol
LogP3.53
Rot. Bonds1

About N'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride

N'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride (PubChem CID 68635443) has the molecular formula C8H9BrCl2N2 and a molecular weight of 283.98 g/mol. Its IUPAC name is N'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride
PubChem CID68635443
Molecular FormulaC8H9BrCl2N2
Molecular Weight283.98 g/mol
Exact Mass281.93
IUPAC NameN'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride
SMILESC/C(N)=N\c1cc(Cl)cc(Br)c1.Cl
InChIInChI=1S/C8H8BrClN2.ClH/c1-5(11)12-8-3-6(9)2-7(10)4-8;/h2-4H,1H3,(H2,11,12);1H
InChIKeyXIASSTMRCMZTSB-UHFFFAOYSA-N
XLogP3.53
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.98
LogP ≤ 53.53
H-Bond Donors ≤ 51
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

N'-(3,5-dichlorophenyl)ethanimidamide
CID 63173176
3-bromo-5-chlorobenzamide
CID 53417471
N'-(2-bromo-6-chlorophenyl)ethanimidamide;hydrochloride
CID 68563970
N'-(2,5-dichlorophenyl)ethanimidamide
CID 63173337
N'-(4-chloro-3-methoxyphenyl)ethanimidamide
CID 107623277
N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide
CID 3813981
1-(3-bromo-5-chlorophenyl)-2-ethylguanidine
CID 130697862
N-(3,5-dichlorophenyl)pentan-2-imine
CID 101123959
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]ethanimidamide;hydrochloride
CID 23469591
N'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide
CID 107579403
(3-bromo-5-chlorophenyl)thiourea
CID 131211224
N'-(3-bromo-2-chlorophenyl)ethanimidamide
CID 68562839

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride?
The IUPAC name of N'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride (CID 68635443) is N'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride.
What is the SMILES notation for N'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride?
The canonical SMILES for N'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride is C/C(N)=N\c1cc(Cl)cc(Br)c1.Cl.
What is the InChIKey of N'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride?
The InChIKey is XIASSTMRCMZTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2.ClH/c1-5(11)12-8-3-6(9)2-7(10)4-8;/h2-4H,1H3,(H2,11,12);1H.
What are the key properties of N'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride?
N'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride has a molecular weight of 283.98 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 68635443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).