2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide

C13H16FNO3 — CID 124679635

IUPAC2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NC[C@]1(O)CCOC1
InChIInChI=1S/C13H16FNO3/c14-11-3-1-2-10(6-11)7-12(16)15-8-13(17)4-5-18-9-13/h1-3,6,17H,4-5,7-9H2,(H,15,16)/t13-/m1/s1
InChIKeyCXZBNWRHGGHKTJ-CYBMUJFWSA-N
MW253.27 g/mol
LogP0.64
Rot. Bonds4

About 2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide

2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide (PubChem CID 124679635) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
PubChem CID124679635
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NC[C@]1(O)CCOC1
InChIInChI=1S/C13H16FNO3/c14-11-3-1-2-10(6-11)7-12(16)15-8-13(17)4-5-18-9-13/h1-3,6,17H,4-5,7-9H2,(H,15,16)/t13-/m1/s1
InChIKeyCXZBNWRHGGHKTJ-CYBMUJFWSA-N
XLogP0.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-(3-fluorophenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 115438203
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849356
2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039515
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
2-(4-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 113337956
2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113337991
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 129397646
3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide
CID 103848664
2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)oxan-4-yl]methylcarbamoylamino]ethyl]acetamide
CID 86874981
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide (CID 124679635) is 2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide is O=C(Cc1cccc(F)c1)NC[C@]1(O)CCOC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The InChIKey is CXZBNWRHGGHKTJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-11-3-1-2-10(6-11)7-12(16)15-8-13(17)4-5-18-9-13/h1-3,6,17H,4-5,7-9H2,(H,15,16)/t13-/m1/s1.
What are the key properties of 2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide?
2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide has a molecular weight of 253.27 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 124679635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).