3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride

C14H21Cl3N2O — CID 20787024

IUPAC3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride
SMILESCC[NH+](CC)CCCNC(=O)c1cc(Cl)cc(Cl)c1.[Cl-]
InChIInChI=1S/C14H20Cl2N2O.ClH/c1-3-18(4-2)7-5-6-17-14(19)11-8-12(15)10-13(16)9-11;/h8-10H,3-7H2,1-2H3,(H,17,19);1H
InChIKeyNPIHRYBJCJYGKD-UHFFFAOYSA-N
MW339.69 g/mol
LogP-0.96
Rot. Bonds7

About 3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride

3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride (PubChem CID 20787024) has the molecular formula C14H21Cl3N2O and a molecular weight of 339.69 g/mol. Its IUPAC name is 3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride.

Molecular Properties

Compound Name3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride
PubChem CID20787024
Molecular FormulaC14H21Cl3N2O
Molecular Weight339.69 g/mol
Exact Mass338.07
IUPAC Name3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride
SMILESCC[NH+](CC)CCCNC(=O)c1cc(Cl)cc(Cl)c1.[Cl-]
InChIInChI=1S/C14H20Cl2N2O.ClH/c1-3-18(4-2)7-5-6-17-14(19)11-8-12(15)10-13(16)9-11;/h8-10H,3-7H2,1-2H3,(H,17,19);1H
InChIKeyNPIHRYBJCJYGKD-UHFFFAOYSA-N
XLogP-0.96
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.69
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-propylbenzamide
CID 2767298
N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883
N-(5-bromopentyl)-3,5-dichlorobenzamide
CID 107322072
diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium
CID 7029075
3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107342962
N-butyl-3-chloro-5-sulfamoylbenzamide
CID 65374212
3-[(4-acetyloxybenzoyl)amino]propyl-diethylazanium
CID 7276859
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3,5-dichloro-N-(2-methylsulfonylethyl)benzamide
CID 47230479
ethyl 3-[(3,5-dichlorobenzoyl)amino]propanoate
CID 47437680
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
3-bromo-5-chloro-N-hex-5-ynylbenzamide
CID 103827024

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride?
The IUPAC name of 3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride (CID 20787024) is 3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride.
What is the SMILES notation for 3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride?
The canonical SMILES for 3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride is CC[NH+](CC)CCCNC(=O)c1cc(Cl)cc(Cl)c1.[Cl-].
What is the InChIKey of 3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride?
The InChIKey is NPIHRYBJCJYGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O.ClH/c1-3-18(4-2)7-5-6-17-14(19)11-8-12(15)10-13(16)9-11;/h8-10H,3-7H2,1-2H3,(H,17,19);1H.
What are the key properties of 3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride?
3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride has a molecular weight of 339.69 g/mol, XLogP of -0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride is sourced from PubChem (CID 20787024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).