5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride

C12H17ClFN3O2 — CID 120506854

IUPAC5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(C(=O)N[C@@H](C)CN)c1.Cl
InChIInChI=1S/C12H16FN3O2.ClH/c1-7(6-14)15-12(18)10-5-9(16-8(2)17)3-4-11(10)13;/h3-5,7H,6,14H2,1-2H3,(H,15,18)(H,16,17);1H/t7-;/m0./s1
InChIKeyIIXTUCUGAZZGBH-FJXQXJEOSA-N
MW289.74 g/mol
LogP1.28
Rot. Bonds4

About 5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride

5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride (PubChem CID 120506854) has the molecular formula C12H17ClFN3O2 and a molecular weight of 289.74 g/mol. Its IUPAC name is 5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride
PubChem CID120506854
Molecular FormulaC12H17ClFN3O2
Molecular Weight289.74 g/mol
Exact Mass289.10
IUPAC Name5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(C(=O)N[C@@H](C)CN)c1.Cl
InChIInChI=1S/C12H16FN3O2.ClH/c1-7(6-14)15-12(18)10-5-9(16-8(2)17)3-4-11(10)13;/h3-5,7H,6,14H2,1-2H3,(H,15,18)(H,16,17);1H/t7-;/m0./s1
InChIKeyIIXTUCUGAZZGBH-FJXQXJEOSA-N
XLogP1.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-5-chloro-2-fluorobenzamide
CID 104873078
2-[(5-acetamido-2-fluorobenzoyl)amino]propanoic acid
CID 119348788
5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide
CID 119589312
(2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 119363829
N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
CID 120508532
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
CID 120505174
(E)-2-[(5-acetamido-2-fluorobenzoyl)amino]hex-4-enoic acid
CID 120694236
N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 63731123
5-amino-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93091479
N-(4-fluoro-3-methylsulfanylphenyl)acetamide
CID 91881077

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride?
The IUPAC name of 5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride (CID 120506854) is 5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride.
What is the SMILES notation for 5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride?
The canonical SMILES for 5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride is CC(=O)Nc1ccc(F)c(C(=O)N[C@@H](C)CN)c1.Cl.
What is the InChIKey of 5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride?
The InChIKey is IIXTUCUGAZZGBH-FJXQXJEOSA-N. The full InChI is InChI=1S/C12H16FN3O2.ClH/c1-7(6-14)15-12(18)10-5-9(16-8(2)17)3-4-11(10)13;/h3-5,7H,6,14H2,1-2H3,(H,15,18)(H,16,17);1H/t7-;/m0./s1.
What are the key properties of 5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride?
5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride has a molecular weight of 289.74 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride is sourced from PubChem (CID 120506854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).