N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide

C12H17FN2O — CID 110833187

IUPACN-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
SMILESCC(CN)NC(=O)CCc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-9(8-14)15-12(16)7-6-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyLTANTUTUYPDQBV-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.22
Rot. Bonds5

About N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide

N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide (PubChem CID 110833187) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
PubChem CID110833187
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
SMILESCC(CN)NC(=O)CCc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-9(8-14)15-12(16)7-6-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyLTANTUTUYPDQBV-UHFFFAOYSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
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N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
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3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
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N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide
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3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride
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N-(1-aminopropan-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 110833199
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
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3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
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N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide
CID 121021346
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide (CID 110833187) is N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide is CC(CN)NC(=O)CCc1ccccc1F.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide?
The InChIKey is LTANTUTUYPDQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9(8-14)15-12(16)7-6-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16).
What are the key properties of N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide?
N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide has a molecular weight of 224.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 110833187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).