N-(3,5-dichloro-4-methylphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxyacetamide

C15H22Cl2N3O2+ — CID 18552063

IUPACN-(3,5-dichloro-4-methylphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxyacetamide
SMILESCc1c(Cl)cc(N(O)C(=O)C[N+]2(C)CCN(C)CC2)cc1Cl
InChIInChI=1S/C15H22Cl2N3O2/c1-11-13(16)8-12(9-14(11)17)19(22)15(21)10-20(3)6-4-18(2)5-7-20/h8-9,22H,4-7,10H2,1-3H3/q+1
InChIKeyHGIQHKLOULLTHP-UHFFFAOYSA-N
MW347.27 g/mol
LogP2.42
Rot. Bonds3

About N-(3,5-dichloro-4-methylphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxyacetamide

N-(3,5-dichloro-4-methylphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxyacetamide (PubChem CID 18552063) has the molecular formula C15H22Cl2N3O2+ and a molecular weight of 347.27 g/mol. Its IUPAC name is N-(3,5-dichloro-4-methylphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxyacetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-methylphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxyacetamide
PubChem CID18552063
Molecular FormulaC15H22Cl2N3O2+
Molecular Weight347.27 g/mol
Exact Mass346.11
IUPAC NameN-(3,5-dichloro-4-methylphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxyacetamide
SMILESCc1c(Cl)cc(N(O)C(=O)C[N+]2(C)CCN(C)CC2)cc1Cl
InChIInChI=1S/C15H22Cl2N3O2/c1-11-13(16)8-12(9-14(11)17)19(22)15(21)10-20(3)6-4-18(2)5-7-20/h8-9,22H,4-7,10H2,1-3H3/q+1
InChIKeyHGIQHKLOULLTHP-UHFFFAOYSA-N
XLogP2.42
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-methylphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxyacetamide?
The IUPAC name of N-(3,5-dichloro-4-methylphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxyacetamide (CID 18552063) is N-(3,5-dichloro-4-methylphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxyacetamide.
What is the SMILES notation for N-(3,5-dichloro-4-methylphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxyacetamide?
The canonical SMILES for N-(3,5-dichloro-4-methylphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxyacetamide is Cc1c(Cl)cc(N(O)C(=O)C[N+]2(C)CCN(C)CC2)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-4-methylphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxyacetamide?
The InChIKey is HGIQHKLOULLTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N3O2/c1-11-13(16)8-12(9-14(11)17)19(22)15(21)10-20(3)6-4-18(2)5-7-20/h8-9,22H,4-7,10H2,1-3H3/q+1.
What are the key properties of N-(3,5-dichloro-4-methylphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxyacetamide?
N-(3,5-dichloro-4-methylphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxyacetamide has a molecular weight of 347.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-methylphenyl)-2-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxyacetamide is sourced from PubChem (CID 18552063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).