2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]oxadiazol-3-ium-5-yl]acetamide

C11H9Cl3N3O2+ — CID 53275505

IUPAC2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]oxadiazol-3-ium-5-yl]acetamide
SMILESO=C(CCl)Nc1c[n+](Cc2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C11H8Cl3N3O2/c12-4-10(18)15-11-6-17(16-19-11)5-7-1-2-8(13)3-9(7)14/h1-3,6H,4-5H2/p+1
InChIKeyGOAJZPSRSWEGFL-UHFFFAOYSA-O
MW321.57 g/mol
LogP2.49
Rot. Bonds4

About 2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]oxadiazol-3-ium-5-yl]acetamide

2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]oxadiazol-3-ium-5-yl]acetamide (PubChem CID 53275505) has the molecular formula C11H9Cl3N3O2+ and a molecular weight of 321.57 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]oxadiazol-3-ium-5-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]oxadiazol-3-ium-5-yl]acetamide
PubChem CID53275505
Molecular FormulaC11H9Cl3N3O2+
Molecular Weight321.57 g/mol
Exact Mass319.98
IUPAC Name2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]oxadiazol-3-ium-5-yl]acetamide
SMILESO=C(CCl)Nc1c[n+](Cc2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C11H8Cl3N3O2/c12-4-10(18)15-11-6-17(16-19-11)5-7-1-2-8(13)3-9(7)14/h1-3,6H,4-5H2/p+1
InChIKeyGOAJZPSRSWEGFL-UHFFFAOYSA-O
XLogP2.49
TPSA59.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.57
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2,4-dichlorophenyl)methyl]-4-(1-hydroxyethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53274838
N-[3-[(2,4-dichlorophenyl)methyl]-4-(methylaminomethyl)oxadiazol-3-ium-5-yl]acetamide
CID 53274726
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24628780
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108952659
1-chloro-4-(2,4-dichlorophenyl)butan-2-one
CID 20507775
2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide
CID 167990561
2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide
CID 43328744
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
CID 43145991
3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 112691373
3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 115680816

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]oxadiazol-3-ium-5-yl]acetamide?
The IUPAC name of 2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]oxadiazol-3-ium-5-yl]acetamide (CID 53275505) is 2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]oxadiazol-3-ium-5-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]oxadiazol-3-ium-5-yl]acetamide?
The canonical SMILES for 2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]oxadiazol-3-ium-5-yl]acetamide is O=C(CCl)Nc1c[n+](Cc2ccc(Cl)cc2Cl)no1.
What is the InChIKey of 2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]oxadiazol-3-ium-5-yl]acetamide?
The InChIKey is GOAJZPSRSWEGFL-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H8Cl3N3O2/c12-4-10(18)15-11-6-17(16-19-11)5-7-1-2-8(13)3-9(7)14/h1-3,6H,4-5H2/p+1.
What are the key properties of 2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]oxadiazol-3-ium-5-yl]acetamide?
2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]oxadiazol-3-ium-5-yl]acetamide has a molecular weight of 321.57 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2,4-dichlorophenyl)methyl]oxadiazol-3-ium-5-yl]acetamide is sourced from PubChem (CID 53275505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).