N-(2,3-dichlorophenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide

C10H8Cl2N3O3+ — CID 53290629

IUPACN-(2,3-dichlorophenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide
SMILESC[n+]1[nH]oc(=O)c1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C10H7Cl2N3O3/c1-15-8(10(17)18-14-15)9(16)13-6-4-2-3-5(11)7(6)12/h2-4H,1H3,(H-,13,14,16,17)/p+1
InChIKeyCPFZXOHVBVOSTB-UHFFFAOYSA-O
MW289.10 g/mol
LogP1.35
Rot. Bonds2

About N-(2,3-dichlorophenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide

N-(2,3-dichlorophenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide (PubChem CID 53290629) has the molecular formula C10H8Cl2N3O3+ and a molecular weight of 289.10 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide
PubChem CID53290629
Molecular FormulaC10H8Cl2N3O3+
Molecular Weight289.10 g/mol
Exact Mass287.99
IUPAC NameN-(2,3-dichlorophenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide
SMILESC[n+]1[nH]oc(=O)c1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C10H7Cl2N3O3/c1-15-8(10(17)18-14-15)9(16)13-6-4-2-3-5(11)7(6)12/h2-4H,1H3,(H-,13,14,16,17)/p+1
InChIKeyCPFZXOHVBVOSTB-UHFFFAOYSA-O
XLogP1.35
TPSA78.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichlorophenyl)-3-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)sulfanyl]propanamide
CID 53293686
N-(2,3-dichlorophenyl)-2-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)sulfanyl]butanamide
CID 53293338
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515
N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-carboxamide
CID 53289563
6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558439
N-(2,3-dichlorophenyl)-4-phenylbenzamide
CID 3094078
N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide
CID 3396392
N-(2,3-dichlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402707
N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847542
[2-[(2,3-dichlorophenyl)carbamoyl]phenyl] acetate
CID 3368365
4-cyano-N-(2,3-dichlorophenyl)benzamide
CID 23761721
N-(2,3-dichlorophenyl)-6-methylpyridazine-3-carboxamide
CID 110705384

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide (CID 53290629) is N-(2,3-dichlorophenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide is C[n+]1[nH]oc(=O)c1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide?
The InChIKey is CPFZXOHVBVOSTB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H7Cl2N3O3/c1-15-8(10(17)18-14-15)9(16)13-6-4-2-3-5(11)7(6)12/h2-4H,1H3,(H-,13,14,16,17)/p+1.
What are the key properties of N-(2,3-dichlorophenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide?
N-(2,3-dichlorophenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide has a molecular weight of 289.10 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-3-methyl-5-oxo-2H-oxadiazol-3-ium-4-carboxamide is sourced from PubChem (CID 53290629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).