2-(2,6-dichlorophenyl)-N-(N'-propylcarbamimidoyl)acetamide

C12H15Cl2N3O — CID 3021825

IUPAC2-(2,6-dichlorophenyl)-N-(N'-propylcarbamimidoyl)acetamide
SMILESCCC/N=C(\N)NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2N3O/c1-2-6-16-12(15)17-11(18)7-8-9(13)4-3-5-10(8)14/h3-5H,2,6-7H2,1H3,(H3,15,16,17,18)
InChIKeyCOJLHPSZVYZSGJ-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.38
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-N-(N'-propylcarbamimidoyl)acetamide

2-(2,6-dichlorophenyl)-N-(N'-propylcarbamimidoyl)acetamide (PubChem CID 3021825) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(N'-propylcarbamimidoyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(N'-propylcarbamimidoyl)acetamide
PubChem CID3021825
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC Name2-(2,6-dichlorophenyl)-N-(N'-propylcarbamimidoyl)acetamide
SMILESCCC/N=C(\N)NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2N3O/c1-2-6-16-12(15)17-11(18)7-8-9(13)4-3-5-10(8)14/h3-5H,2,6-7H2,1H3,(H3,15,16,17,18)
InChIKeyCOJLHPSZVYZSGJ-UHFFFAOYSA-N
XLogP2.38
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(2,6-dichlorophenyl)-N-(N'-propylcarbamimidoyl)acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(N'-propylcarbamimidoyl)acetamide (CID 3021825) is 2-(2,6-dichlorophenyl)-N-(N'-propylcarbamimidoyl)acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(N'-propylcarbamimidoyl)acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(N'-propylcarbamimidoyl)acetamide is CCC/N=C(\N)NC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(N'-propylcarbamimidoyl)acetamide?
The InChIKey is COJLHPSZVYZSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c1-2-6-16-12(15)17-11(18)7-8-9(13)4-3-5-10(8)14/h3-5H,2,6-7H2,1H3,(H3,15,16,17,18).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(N'-propylcarbamimidoyl)acetamide?
2-(2,6-dichlorophenyl)-N-(N'-propylcarbamimidoyl)acetamide has a molecular weight of 288.18 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(N'-propylcarbamimidoyl)acetamide is sourced from PubChem (CID 3021825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).