diethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride

C14H22ClFN2O — CID 20787015

IUPACdiethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride
SMILESCC[NH+](CC)CCCNC(=O)c1ccccc1F.[Cl-]
InChIInChI=1S/C14H21FN2O.ClH/c1-3-17(4-2)11-7-10-16-14(18)12-8-5-6-9-13(12)15;/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,16,18);1H
InChIKeyLZYCLNDNMHGPGH-UHFFFAOYSA-N
MW288.79 g/mol
LogP-2.13
Rot. Bonds7

About diethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride

diethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride (PubChem CID 20787015) has the molecular formula C14H22ClFN2O and a molecular weight of 288.79 g/mol. Its IUPAC name is diethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride
PubChem CID20787015
Molecular FormulaC14H22ClFN2O
Molecular Weight288.79 g/mol
Exact Mass288.14
IUPAC Namediethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride
SMILESCC[NH+](CC)CCCNC(=O)c1ccccc1F.[Cl-]
InChIInChI=1S/C14H21FN2O.ClH/c1-3-17(4-2)11-7-10-16-14(18)12-8-5-6-9-13(12)15;/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,16,18);1H
InChIKeyLZYCLNDNMHGPGH-UHFFFAOYSA-N
XLogP-2.13
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 5-2.13
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

bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium
CID 2203617
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929
2-fluoro-N-(5-methylsulfanylpentyl)benzamide
CID 104920148
diethyl-[3-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl]azanium
CID 5069378
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083
2,3-difluoro-N-pentylbenzamide
CID 62649821
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide
CID 62666034

Frequently Asked Questions

What is the IUPAC name of diethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride?
The IUPAC name of diethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride (CID 20787015) is diethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride.
What is the SMILES notation for diethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride?
The canonical SMILES for diethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride is CC[NH+](CC)CCCNC(=O)c1ccccc1F.[Cl-].
What is the InChIKey of diethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride?
The InChIKey is LZYCLNDNMHGPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O.ClH/c1-3-17(4-2)11-7-10-16-14(18)12-8-5-6-9-13(12)15;/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,16,18);1H.
What are the key properties of diethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride?
diethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride has a molecular weight of 288.79 g/mol, XLogP of -2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride is sourced from PubChem (CID 20787015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).