3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide

C13H18FNO2 — CID 51725488

IUPAC3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
SMILESCOC[C@H](C)NC(=O)CCc1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-10(9-17-2)15-13(16)7-6-11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyLUWWWHHYPNPPIO-JTQLQIEISA-N
MW239.29 g/mol
LogP1.91
Rot. Bonds6

About 3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide

3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide (PubChem CID 51725488) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
PubChem CID51725488
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
SMILESCOC[C@H](C)NC(=O)CCc1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-10(9-17-2)15-13(16)7-6-11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyLUWWWHHYPNPPIO-JTQLQIEISA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide
CID 86894208
3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 51072977
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848
2-(3-fluorophenyl)-N-[2-[[N-(1-methoxypropan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide
CID 111234459
2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
3-(3-fluorophenyl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 43035596
N-[(2R)-1-methoxypropan-2-yl]-3-thiophen-3-ylpropanamide
CID 51725722
(2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide
CID 124848839
3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide
CID 97078263
3-(3-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]propanamide
CID 97078264
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide (CID 51725488) is 3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide is COC[C@H](C)NC(=O)CCc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide?
The InChIKey is LUWWWHHYPNPPIO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18FNO2/c1-10(9-17-2)15-13(16)7-6-11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of 3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide?
3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide has a molecular weight of 239.29 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide is sourced from PubChem (CID 51725488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).