2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide

C14H14FNO3 — CID 95986560

IUPAC2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NC[C@@H](O)c1ccoc1
InChIInChI=1S/C14H14FNO3/c15-12-3-1-10(2-4-12)7-14(18)16-8-13(17)11-5-6-19-9-11/h1-6,9,13,17H,7-8H2,(H,16,18)/t13-/m1/s1
InChIKeyAQEJWDJHOIKJFP-CYBMUJFWSA-N
MW263.27 g/mol
LogP1.81
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide

2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide (PubChem CID 95986560) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
PubChem CID95986560
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NC[C@@H](O)c1ccoc1
InChIInChI=1S/C14H14FNO3/c15-12-3-1-10(2-4-12)7-14(18)16-8-13(17)11-5-6-19-9-11/h1-6,9,13,17H,7-8H2,(H,16,18)/t13-/m1/s1
InChIKeyAQEJWDJHOIKJFP-CYBMUJFWSA-N
XLogP1.81
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
CID 95986654
N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
CID 95986653
2-(4-fluorophenyl)-N-(furan-3-ylmethyl)acetamide
CID 47285310
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106407
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea
CID 95986798
1-[(4-chlorophenyl)methyl]-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798421
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
CID 124760949
2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide
CID 95986600
N-[2-(furan-3-yl)-2-hydroxyethyl]-4-phenylbenzamide
CID 71798320
3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide
CID 97040675
methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate
CID 113344194
1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798424

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide (CID 95986560) is 2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide is O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1ccoc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide?
The InChIKey is AQEJWDJHOIKJFP-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14FNO3/c15-12-3-1-10(2-4-12)7-14(18)16-8-13(17)11-5-6-19-9-11/h1-6,9,13,17H,7-8H2,(H,16,18)/t13-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide?
2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide has a molecular weight of 263.27 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 95986560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).