N'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide

C11H14BrClN2 — CID 107617114

IUPACN'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide
SMILESCC(C)(C)/C(N)=N/c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H14BrClN2/c1-11(2,3)10(14)15-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H2,14,15)
InChIKeyIJFKXQFSPGIOSG-UHFFFAOYSA-N
MW289.60 g/mol
LogP4.14
Rot. Bonds1

About N'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide

N'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide (PubChem CID 107617114) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is N'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide
PubChem CID107617114
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC NameN'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide
SMILESCC(C)(C)/C(N)=N/c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H14BrClN2/c1-11(2,3)10(14)15-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H2,14,15)
InChIKeyIJFKXQFSPGIOSG-UHFFFAOYSA-N
XLogP4.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 54.14
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

2-(4-bromo-3-chlorophenyl)guanidine
CID 54562942
N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide
CID 63178650
N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine
CID 21239979
(2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol
CID 130721867
(Z)-N'-(3,4-dichlorophenyl)-2-methylbut-2-enimidamide
CID 5355729
(E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide
CID 67556034
2,2-dimethyl-N'-[6-(trifluoromethyl)-3-pyridinyl]propanimidamide
CID 82817189
4-bromo-3-chlorophenol
CID 7018182
2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine
CID 146728761
N'-(3-bromo-4-methylphenyl)ethanimidamide
CID 63334593
1-(4-bromo-3-chlorophenyl)-1-phenylethanol
CID 66915599
N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169364970

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide?
The IUPAC name of N'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide (CID 107617114) is N'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide is CC(C)(C)/C(N)=N/c1ccc(Br)c(Cl)c1.
What is the InChIKey of N'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide?
The InChIKey is IJFKXQFSPGIOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c1-11(2,3)10(14)15-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H2,14,15).
What are the key properties of N'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide?
N'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide has a molecular weight of 289.60 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 107617114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).