4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide

C12H17Cl2N3O — CID 77025238

IUPAC4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide
SMILESNC(CCCNCCc1ccc(Cl)cc1Cl)=NO
InChIInChI=1S/C12H17Cl2N3O/c13-10-4-3-9(11(14)8-10)5-7-16-6-1-2-12(15)17-18/h3-4,8,16,18H,1-2,5-7H2,(H2,15,17)
InChIKeyPIXJZCBVBUIPAT-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.65
Rot. Bonds7

About 4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide

4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide (PubChem CID 77025238) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide
PubChem CID77025238
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide
SMILESNC(CCCNCCc1ccc(Cl)cc1Cl)=NO
InChIInChI=1S/C12H17Cl2N3O/c13-10-4-3-9(11(14)8-10)5-7-16-6-1-2-12(15)17-18/h3-4,8,16,18H,1-2,5-7H2,(H2,15,17)
InChIKeyPIXJZCBVBUIPAT-UHFFFAOYSA-N
XLogP2.65
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide
CID 77032070
4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid
CID 43377886
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
CID 113436854
4-(4-chlorophenyl)-N'-hydroxybutanimidamide
CID 156545661
5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77030098
4-[(2,5-difluorophenyl)methylamino]-N'-hydroxybutanimidamide
CID 77028287
N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine
CID 60689892
2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 115120876
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide (CID 77025238) is 4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide is NC(CCCNCCc1ccc(Cl)cc1Cl)=NO.
What is the InChIKey of 4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide?
The InChIKey is PIXJZCBVBUIPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c13-10-4-3-9(11(14)8-10)5-7-16-6-1-2-12(15)17-18/h3-4,8,16,18H,1-2,5-7H2,(H2,15,17).
What are the key properties of 4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide?
4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide has a molecular weight of 290.19 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77025238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).