N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride

C12H17ClFN3O2 — CID 119299574

IUPACN-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
SMILESCC(N)C(=O)NCCNC(=O)c1ccccc1F.Cl
InChIInChI=1S/C12H16FN3O2.ClH/c1-8(14)11(17)15-6-7-16-12(18)9-4-2-3-5-10(9)13;/h2-5,8H,6-7,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyNOTZDRWQPRFNJN-UHFFFAOYSA-N
MW289.74 g/mol
LogP0.44
Rot. Bonds5

About N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride

N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride (PubChem CID 119299574) has the molecular formula C12H17ClFN3O2 and a molecular weight of 289.74 g/mol. Its IUPAC name is N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
PubChem CID119299574
Molecular FormulaC12H17ClFN3O2
Molecular Weight289.74 g/mol
Exact Mass289.10
IUPAC NameN-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
SMILESCC(N)C(=O)NCCNC(=O)c1ccccc1F.Cl
InChIInChI=1S/C12H16FN3O2.ClH/c1-8(14)11(17)15-6-7-16-12(18)9-4-2-3-5-10(9)13;/h2-5,8H,6-7,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyNOTZDRWQPRFNJN-UHFFFAOYSA-N
XLogP0.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119742068
N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
CID 119278708
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
N-(2-amino-4-methylpentyl)-2-fluorobenzamide
CID 107158830
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119266845
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium
CID 2203617
methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate
CID 103493166

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride?
The IUPAC name of N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride (CID 119299574) is N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride is CC(N)C(=O)NCCNC(=O)c1ccccc1F.Cl.
What is the InChIKey of N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride?
The InChIKey is NOTZDRWQPRFNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2.ClH/c1-8(14)11(17)15-6-7-16-12(18)9-4-2-3-5-10(9)13;/h2-5,8H,6-7,14H2,1H3,(H,15,17)(H,16,18);1H.
What are the key properties of N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride?
N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride has a molecular weight of 289.74 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119299574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).