N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride

C11H15ClFN3O2 — CID 119279495

IUPACN-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(NC(=O)CCN)c1.Cl
InChIInChI=1S/C11H14FN3O2.ClH/c1-7(16)14-8-2-3-9(12)10(6-8)15-11(17)4-5-13;/h2-3,6H,4-5,13H2,1H3,(H,14,16)(H,15,17);1H
InChIKeyQWSJJUQSVTUKMV-UHFFFAOYSA-N
MW275.71 g/mol
LogP1.49
Rot. Bonds4

About N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride

N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride (PubChem CID 119279495) has the molecular formula C11H15ClFN3O2 and a molecular weight of 275.71 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
PubChem CID119279495
Molecular FormulaC11H15ClFN3O2
Molecular Weight275.71 g/mol
Exact Mass275.08
IUPAC NameN-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(NC(=O)CCN)c1.Cl
InChIInChI=1S/C11H14FN3O2.ClH/c1-7(16)14-8-2-3-9(12)10(6-8)15-11(17)4-5-13;/h2-3,6H,4-5,13H2,1H3,(H,14,16)(H,15,17);1H
InChIKeyQWSJJUQSVTUKMV-UHFFFAOYSA-N
XLogP1.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide
CID 46686963
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CID 22692055
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
CID 52559111
N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide
CID 63309475
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide
CID 55552164
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119280748
N-(5-acetamido-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949796
N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 134019498

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride (CID 119279495) is N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride is CC(=O)Nc1ccc(F)c(NC(=O)CCN)c1.Cl.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride?
The InChIKey is QWSJJUQSVTUKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2.ClH/c1-7(16)14-8-2-3-9(12)10(6-8)15-11(17)4-5-13;/h2-3,6H,4-5,13H2,1H3,(H,14,16)(H,15,17);1H.
What are the key properties of N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride?
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride has a molecular weight of 275.71 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride is sourced from PubChem (CID 119279495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).