N'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide

C11H14Cl2N2 — CID 63174252

IUPACN'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide
SMILESCc1ccc(Cl)c(/N=C(\N)C(C)C)c1Cl
InChIInChI=1S/C11H14Cl2N2/c1-6(2)11(14)15-10-8(12)5-4-7(3)9(10)13/h4-6H,1-3H3,(H2,14,15)
InChIKeyRSEOFIWYYQRBBL-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.95
Rot. Bonds2

About N'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide

N'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide (PubChem CID 63174252) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is N'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide
PubChem CID63174252
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC NameN'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide
SMILESCc1ccc(Cl)c(/N=C(\N)C(C)C)c1Cl
InChIInChI=1S/C11H14Cl2N2/c1-6(2)11(14)15-10-8(12)5-4-7(3)9(10)13/h4-6H,1-3H3,(H2,14,15)
InChIKeyRSEOFIWYYQRBBL-UHFFFAOYSA-N
XLogP3.95
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.95
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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Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide?
The IUPAC name of N'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide (CID 63174252) is N'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide.
What is the SMILES notation for N'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide?
The canonical SMILES for N'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide is Cc1ccc(Cl)c(/N=C(\N)C(C)C)c1Cl.
What is the InChIKey of N'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide?
The InChIKey is RSEOFIWYYQRBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c1-6(2)11(14)15-10-8(12)5-4-7(3)9(10)13/h4-6H,1-3H3,(H2,14,15).
What are the key properties of N'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide?
N'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide has a molecular weight of 245.15 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichloro-3-methylphenyl)-2-methylpropanimidamide is sourced from PubChem (CID 63174252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).