3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide

C13H19Cl2N3O — CID 107306583

IUPAC3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
SMILESCC(C)N(CC/C(N)=N/O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-9(2)18(7-6-12(16)17-19)8-10-4-3-5-11(14)13(10)15/h3-5,9,19H,6-8H2,1-2H3,(H2,16,17)
InChIKeyMNTQJDNACRVXSW-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.34
Rot. Bonds6

About 3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide

3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide (PubChem CID 107306583) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
PubChem CID107306583
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
SMILESCC(C)N(CC/C(N)=N/O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-9(2)18(7-6-12(16)17-19)8-10-4-3-5-11(14)13(10)15/h3-5,9,19H,6-8H2,1-2H3,(H2,16,17)
InChIKeyMNTQJDNACRVXSW-UHFFFAOYSA-N
XLogP3.34
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide (CID 107306583) is 3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide is CC(C)N(CC/C(N)=N/O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide?
The InChIKey is MNTQJDNACRVXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-9(2)18(7-6-12(16)17-19)8-10-4-3-5-11(14)13(10)15/h3-5,9,19H,6-8H2,1-2H3,(H2,16,17).
What are the key properties of 3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide?
3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide has a molecular weight of 304.22 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 107306583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).