N'-(4-bromo-2,3-dichlorophenyl)butanimidamide

C10H11BrCl2N2 — CID 107794166

IUPACN'-(4-bromo-2,3-dichlorophenyl)butanimidamide
SMILESCCC/C(N)=N\c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C10H11BrCl2N2/c1-2-3-8(14)15-7-5-4-6(11)9(12)10(7)13/h4-5H,2-3H2,1H3,(H2,14,15)
InChIKeyZQWGQHCXIRHNCM-UHFFFAOYSA-N
MW310.02 g/mol
LogP4.54
Rot. Bonds3

About N'-(4-bromo-2,3-dichlorophenyl)butanimidamide

N'-(4-bromo-2,3-dichlorophenyl)butanimidamide (PubChem CID 107794166) has the molecular formula C10H11BrCl2N2 and a molecular weight of 310.02 g/mol. Its IUPAC name is N'-(4-bromo-2,3-dichlorophenyl)butanimidamide.

Molecular Properties

Compound NameN'-(4-bromo-2,3-dichlorophenyl)butanimidamide
PubChem CID107794166
Molecular FormulaC10H11BrCl2N2
Molecular Weight310.02 g/mol
Exact Mass307.95
IUPAC NameN'-(4-bromo-2,3-dichlorophenyl)butanimidamide
SMILESCCC/C(N)=N\c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C10H11BrCl2N2/c1-2-3-8(14)15-7-5-4-6(11)9(12)10(7)13/h4-5H,2-3H2,1H3,(H2,14,15)
InChIKeyZQWGQHCXIRHNCM-UHFFFAOYSA-N
XLogP4.54
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.02
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

N'-(2-ethylphenyl)butanimidamide
CID 63178290
2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide
CID 169365543
N'-(3-bromo-2-chlorophenyl)ethanimidamide
CID 68562839
N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide
CID 169365471
N'-(4-aminophenyl)butanimidamide;ethane
CID 155749292
N'-(2-phenoxyphenyl)butanimidamide
CID 55159002
N'-[3-bromo-4-(trifluoromethoxy)phenyl]butanimidamide
CID 107336773
N-(3-bromo-2-chloro-5-fluorophenyl)heptan-4-imine
CID 141300001
N'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide
CID 164661312
N'-(2-bromo-4-propan-2-ylphenyl)-2-chloroethanimidamide
CID 169365341
ethyl 4-bromo-2,3-dichlorobenzoate
CID 163198210
N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide
CID 113336760

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2,3-dichlorophenyl)butanimidamide?
The IUPAC name of N'-(4-bromo-2,3-dichlorophenyl)butanimidamide (CID 107794166) is N'-(4-bromo-2,3-dichlorophenyl)butanimidamide.
What is the SMILES notation for N'-(4-bromo-2,3-dichlorophenyl)butanimidamide?
The canonical SMILES for N'-(4-bromo-2,3-dichlorophenyl)butanimidamide is CCC/C(N)=N\c1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of N'-(4-bromo-2,3-dichlorophenyl)butanimidamide?
The InChIKey is ZQWGQHCXIRHNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2N2/c1-2-3-8(14)15-7-5-4-6(11)9(12)10(7)13/h4-5H,2-3H2,1H3,(H2,14,15).
What are the key properties of N'-(4-bromo-2,3-dichlorophenyl)butanimidamide?
N'-(4-bromo-2,3-dichlorophenyl)butanimidamide has a molecular weight of 310.02 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2,3-dichlorophenyl)butanimidamide is sourced from PubChem (CID 107794166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).