bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium

C21H26F2N3O2+ — CID 2203617

IUPACbis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium
SMILESC[NH+](CCCNC(=O)c1ccccc1F)CCCNC(=O)c1ccccc1F
InChIInChI=1S/C21H25F2N3O2/c1-26(14-6-12-24-20(27)16-8-2-4-10-18(16)22)15-7-13-25-21(28)17-9-3-5-11-19(17)23/h2-5,8-11H,6-7,12-15H2,1H3,(H,24,27)(H,25,28)/p+1
InChIKeyUOKQOHHBKQFCCG-UHFFFAOYSA-O
MW390.45 g/mol
LogP1.42
Rot. Bonds10

About bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium

bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium (PubChem CID 2203617) has the molecular formula C21H26F2N3O2+ and a molecular weight of 390.45 g/mol. Its IUPAC name is bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium.

Molecular Properties

Compound Namebis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium
PubChem CID2203617
Molecular FormulaC21H26F2N3O2+
Molecular Weight390.45 g/mol
Exact Mass390.20
IUPAC Namebis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium
SMILESC[NH+](CCCNC(=O)c1ccccc1F)CCCNC(=O)c1ccccc1F
InChIInChI=1S/C21H25F2N3O2/c1-26(14-6-12-24-20(27)16-8-2-4-10-18(16)22)15-7-13-25-21(28)17-9-3-5-11-19(17)23/h2-5,8-11H,6-7,12-15H2,1H3,(H,24,27)(H,25,28)/p+1
InChIKeyUOKQOHHBKQFCCG-UHFFFAOYSA-O
XLogP1.42
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride
CID 20787015
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
2-fluoro-N-(5-methylsulfanylpentyl)benzamide
CID 104920148
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359338
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083
N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119299574
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide
CID 62666034
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929

Frequently Asked Questions

What is the IUPAC name of bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium?
The IUPAC name of bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium (CID 2203617) is bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium.
What is the SMILES notation for bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium?
The canonical SMILES for bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium is C[NH+](CCCNC(=O)c1ccccc1F)CCCNC(=O)c1ccccc1F.
What is the InChIKey of bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium?
The InChIKey is UOKQOHHBKQFCCG-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25F2N3O2/c1-26(14-6-12-24-20(27)16-8-2-4-10-18(16)22)15-7-13-25-21(28)17-9-3-5-11-19(17)23/h2-5,8-11H,6-7,12-15H2,1H3,(H,24,27)(H,25,28)/p+1.
What are the key properties of bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium?
bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium has a molecular weight of 390.45 g/mol, XLogP of 1.42, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium is sourced from PubChem (CID 2203617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).