N-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide

C12H14Cl2N2O2 — CID 44523130

IUPACN-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide
SMILESCN(C)C(=O)CC(=O)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-16(2)12(18)6-11(17)15-7-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3,(H,15,17)
InChIKeyJJDCCQPGYTYCRI-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.09
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide

N-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide (PubChem CID 44523130) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide
PubChem CID44523130
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide
SMILESCN(C)C(=O)CC(=O)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-16(2)12(18)6-11(17)15-7-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3,(H,15,17)
InChIKeyJJDCCQPGYTYCRI-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide (CID 44523130) is N-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide is CN(C)C(=O)CC(=O)NCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide?
The InChIKey is JJDCCQPGYTYCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-16(2)12(18)6-11(17)15-7-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide?
N-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide has a molecular weight of 289.16 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-N',N'-dimethylpropanediamide is sourced from PubChem (CID 44523130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).