N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride

C13H19ClFN3O2 — CID 119742068

IUPACN-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
SMILESCC(N)CC(=O)NCCNC(=O)c1ccccc1F.Cl
InChIInChI=1S/C13H18FN3O2.ClH/c1-9(15)8-12(18)16-6-7-17-13(19)10-4-2-3-5-11(10)14;/h2-5,9H,6-8,15H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyUDRNDOJAGCPYBD-UHFFFAOYSA-N
MW303.76 g/mol
LogP0.83
Rot. Bonds6

About N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride

N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride (PubChem CID 119742068) has the molecular formula C13H19ClFN3O2 and a molecular weight of 303.76 g/mol. Its IUPAC name is N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
PubChem CID119742068
Molecular FormulaC13H19ClFN3O2
Molecular Weight303.76 g/mol
Exact Mass303.11
IUPAC NameN-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
SMILESCC(N)CC(=O)NCCNC(=O)c1ccccc1F.Cl
InChIInChI=1S/C13H18FN3O2.ClH/c1-9(15)8-12(18)16-6-7-17-13(19)10-4-2-3-5-11(10)14;/h2-5,9H,6-8,15H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyUDRNDOJAGCPYBD-UHFFFAOYSA-N
XLogP0.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 50.83
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-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119299574
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
3-amino-1-(2-fluorophenyl)butan-1-one
CID 81462850
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
ethyl 4-[2-[(2-fluorobenzoyl)amino]ethylamino]-4-oxobutanoate
CID 108570798
2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide
CID 55974318
N-[2-(3-methylbutanoylamino)ethyl]-2-sulfanylbenzamide
CID 108538517
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate
CID 103493166

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride?
The IUPAC name of N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride (CID 119742068) is N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride is CC(N)CC(=O)NCCNC(=O)c1ccccc1F.Cl.
What is the InChIKey of N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride?
The InChIKey is UDRNDOJAGCPYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2.ClH/c1-9(15)8-12(18)16-6-7-17-13(19)10-4-2-3-5-11(10)14;/h2-5,9H,6-8,15H2,1H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride?
N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride has a molecular weight of 303.76 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119742068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).