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

C13H16FNO3 — CID 97243041

IUPAC2-(2-fluorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1F)NC[C@@]1(O)CCOC1
InChIInChI=1S/C13H16FNO3/c14-11-4-2-1-3-10(11)7-12(16)15-8-13(17)5-6-18-9-13/h1-4,17H,5-9H2,(H,15,16)/t13-/m0/s1
InChIKeyIMWCBDNUMKFWOA-ZDUSSCGKSA-N
MW253.27 g/mol
LogP0.64
Rot. Bonds4

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

2-(2-fluorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide (PubChem CID 97243041) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide
PubChem CID97243041
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-(2-fluorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1F)NC[C@@]1(O)CCOC1
InChIInChI=1S/C13H16FNO3/c14-11-4-2-1-3-10(11)7-12(16)15-8-13(17)5-6-18-9-13/h1-4,17H,5-9H2,(H,15,16)/t13-/m0/s1
InChIKeyIMWCBDNUMKFWOA-ZDUSSCGKSA-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

2-(4-fluorophenyl)-N-(3-isopropoxypropyl)acetamide
CID 2228387
2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 3148058
N-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide
CID 169211006
N-(3-ethoxypropyl)-2-(3-fluorophenyl)acetamide
CID 47005536
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide
CID 52992734
N-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 137654214
N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(m-tolyl)acetamide
CID 56724186
2-(2-fluorophenyl)-N-(2-hydroxyethyl)acetamide
CID 43389039
N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 102499203
N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 139258458
N-(3-ethoxypropyl)-2-(4-fluorophenyl)acetamide
CID 3260330
2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 49670547

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide (CID 97243041) is 2-(2-fluorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide is O=C(Cc1ccccc1F)NC[C@@]1(O)CCOC1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The InChIKey is IMWCBDNUMKFWOA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-11-4-2-1-3-10(11)7-12(16)15-8-13(17)5-6-18-9-13/h1-4,17H,5-9H2,(H,15,16)/t13-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide?
2-(2-fluorophenyl)-N-[[(3S)-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-(2-fluorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 97243041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).