N'-(2,4-dichlorophenyl)-2-methylpropanimidamide

C10H12Cl2N2 — CID 63174312

IUPACN'-(2,4-dichlorophenyl)-2-methylpropanimidamide
SMILESCC(C)/C(N)=N\c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2/c1-6(2)10(13)14-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3,(H2,13,14)
InChIKeyBIRISCIXPXHGPU-UHFFFAOYSA-N
MW231.13 g/mol
LogP3.64
Rot. Bonds2

About N'-(2,4-dichlorophenyl)-2-methylpropanimidamide

N'-(2,4-dichlorophenyl)-2-methylpropanimidamide (PubChem CID 63174312) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is N'-(2,4-dichlorophenyl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-(2,4-dichlorophenyl)-2-methylpropanimidamide
PubChem CID63174312
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC NameN'-(2,4-dichlorophenyl)-2-methylpropanimidamide
SMILESCC(C)/C(N)=N\c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2/c1-6(2)10(13)14-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3,(H2,13,14)
InChIKeyBIRISCIXPXHGPU-UHFFFAOYSA-N
XLogP3.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.64
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-[[[3-amino-3-(4-chlorophenyl)imino-2-methylpropyl]diazenyl]methyl]-3-chloro-N'-(2,4-dichlorophenyl)propanimidamide
CID 91299306
N'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide
CID 63179047
1-chloroethyl-(2,4-dichlorophenyl)diazene
CID 91379926
N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide
CID 130496080
N'-(4-bromo-2-methylphenyl)-2-methylpropanimidamide
CID 63174422
N'-(2,5-dichlorophenyl)ethanimidamide
CID 63173337
2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide
CID 110884485
(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide
CID 7222417
N'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide
CID 63174252
N-(2,4-dichlorophenyl)-1-[6-[N-(2,4-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride
CID 158753495
N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide
CID 63174015
(2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate
CID 8776469

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichlorophenyl)-2-methylpropanimidamide?
The IUPAC name of N'-(2,4-dichlorophenyl)-2-methylpropanimidamide (CID 63174312) is N'-(2,4-dichlorophenyl)-2-methylpropanimidamide.
What is the SMILES notation for N'-(2,4-dichlorophenyl)-2-methylpropanimidamide?
The canonical SMILES for N'-(2,4-dichlorophenyl)-2-methylpropanimidamide is CC(C)/C(N)=N\c1ccc(Cl)cc1Cl.
What is the InChIKey of N'-(2,4-dichlorophenyl)-2-methylpropanimidamide?
The InChIKey is BIRISCIXPXHGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c1-6(2)10(13)14-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3,(H2,13,14).
What are the key properties of N'-(2,4-dichlorophenyl)-2-methylpropanimidamide?
N'-(2,4-dichlorophenyl)-2-methylpropanimidamide has a molecular weight of 231.13 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dichlorophenyl)-2-methylpropanimidamide is sourced from PubChem (CID 63174312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).