cyclopentyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium

C21H25Cl2N2O+ — CID 11718088

IUPACcyclopentyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium
SMILESC[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCC1
InChIInChI=1S/C21H24Cl2N2O/c1-25(2,18-5-3-4-6-18)14-15-7-10-17(11-8-15)24-21(26)16-9-12-19(22)20(23)13-16/h7-13,18H,3-6,14H2,1-2H3/p+1
InChIKeyLMHVAPHSGGBTRL-UHFFFAOYSA-O
MW392.35 g/mol
LogP5.76
Rot. Bonds5

About cyclopentyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium

cyclopentyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium (PubChem CID 11718088) has the molecular formula C21H25Cl2N2O+ and a molecular weight of 392.35 g/mol. Its IUPAC name is cyclopentyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium.

Molecular Properties

Compound Namecyclopentyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium
PubChem CID11718088
Molecular FormulaC21H25Cl2N2O+
Molecular Weight392.35 g/mol
Exact Mass391.13
IUPAC Namecyclopentyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium
SMILESC[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCC1
InChIInChI=1S/C21H24Cl2N2O/c1-25(2,18-5-3-4-6-18)14-15-7-10-17(11-8-15)24-21(26)16-9-12-19(22)20(23)13-16/h7-13,18H,3-6,14H2,1-2H3/p+1
InChIKeyLMHVAPHSGGBTRL-UHFFFAOYSA-O
XLogP5.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.35
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-phenylbenzamide
CID 504156
1-(4-Chlorophenyl)-3-(4-ethylanilino)-1-propanone
CID 2060430
Pencycuron-ketone
CID 139595074
N-[1-(4-Amino-phenyl)-2-pyrrolidin-1-yl-ethyl]-2-(3,4-dichloro-phenyl)-N-methyl-acetamide
CID 10431434
2-(3,4-Dichlorophenyl)-N-methyl-N-[(1S)-1-(3-aminophenyl)-2-(1-pyrrolidinyl)ethyl]acetamide
CID 10456060
3,5-dichloro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
CID 59401771
3',4,4'-Trichlorobenzanilide
CID 306483
4-Chlorobenzanilide
CID 346669
4-chloro-N-(4-methylphenyl)benzamide
CID 346691
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide
CID 146018272
1-(3-Chlorophenyl)-4-(3,4-dichlorobenzoyl)piperazine
CID 1070143

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium?
The IUPAC name of cyclopentyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium (CID 11718088) is cyclopentyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium.
What is the SMILES notation for cyclopentyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium?
The canonical SMILES for cyclopentyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium is C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCC1.
What is the InChIKey of cyclopentyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium?
The InChIKey is LMHVAPHSGGBTRL-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24Cl2N2O/c1-25(2,18-5-3-4-6-18)14-15-7-10-17(11-8-15)24-21(26)16-9-12-19(22)20(23)13-16/h7-13,18H,3-6,14H2,1-2H3/p+1.
What are the key properties of cyclopentyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium?
cyclopentyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium has a molecular weight of 392.35 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium is sourced from PubChem (CID 11718088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).