N-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide

C13H14Cl2N3O+ — CID 87584759

IUPACN-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide
SMILESCc1n(CC(=O)Nc2cc(Cl)cc(Cl)c2)cc[n+]1C
InChIInChI=1S/C13H13Cl2N3O/c1-9-17(2)3-4-18(9)8-13(19)16-12-6-10(14)5-11(15)7-12/h3-7H,8H2,1-2H3/p+1
InChIKeyRMMCHRRMCCNORQ-UHFFFAOYSA-O
MW299.18 g/mol
LogP2.57
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide

N-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide (PubChem CID 87584759) has the molecular formula C13H14Cl2N3O+ and a molecular weight of 299.18 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide
PubChem CID87584759
Molecular FormulaC13H14Cl2N3O+
Molecular Weight299.18 g/mol
Exact Mass298.05
IUPAC NameN-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide
SMILESCc1n(CC(=O)Nc2cc(Cl)cc(Cl)c2)cc[n+]1C
InChIInChI=1S/C13H13Cl2N3O/c1-9-17(2)3-4-18(9)8-13(19)16-12-6-10(14)5-11(15)7-12/h3-7H,8H2,1-2H3/p+1
InChIKeyRMMCHRRMCCNORQ-UHFFFAOYSA-O
XLogP2.57
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide
CID 87584612
N-(3,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
CID 110688645
1-[2-(3,5-dichloroanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325609
1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107997
N-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 6468812
N-(3,5-dichlorophenyl)-4-oxopentanamide
CID 11839705
N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 126213434
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
N-(3,5-dichlorophenyl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)acetamide
CID 9420853
N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46756068
2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60842452

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide (CID 87584759) is N-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide is Cc1n(CC(=O)Nc2cc(Cl)cc(Cl)c2)cc[n+]1C.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide?
The InChIKey is RMMCHRRMCCNORQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H13Cl2N3O/c1-9-17(2)3-4-18(9)8-13(19)16-12-6-10(14)5-11(15)7-12/h3-7H,8H2,1-2H3/p+1.
What are the key properties of N-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide?
N-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide has a molecular weight of 299.18 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide is sourced from PubChem (CID 87584759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).