2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide

C15H14FNO2 — CID 176657549

IUPAC2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide
SMILESNC(=O)c1ccccc1[C@@H](CO)c1cccc(F)c1
InChIInChI=1S/C15H14FNO2/c16-11-5-3-4-10(8-11)14(9-18)12-6-1-2-7-13(12)15(17)19/h1-8,14,18H,9H2,(H2,17,19)/t14-/m0/s1
InChIKeyIZUUKJWZJMVIKD-AWEZNQCLSA-N
MW259.28 g/mol
LogP2.05
Rot. Bonds4

About 2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide

2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide (PubChem CID 176657549) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide
PubChem CID176657549
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide
SMILESNC(=O)c1ccccc1[C@@H](CO)c1cccc(F)c1
InChIInChI=1S/C15H14FNO2/c16-11-5-3-4-10(8-11)14(9-18)12-6-1-2-7-13(12)15(17)19/h1-8,14,18H,9H2,(H2,17,19)/t14-/m0/s1
InChIKeyIZUUKJWZJMVIKD-AWEZNQCLSA-N
XLogP2.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 140673362
2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide
CID 167377603
4,4-bis(3-fluorophenyl)-2-oxobutanamide
CID 59093514
2-(3-fluorophenyl)-2-(1H-indol-3-yl)ethanol
CID 175098776
2-[bromo(phenyl)methyl]benzamide
CID 175221886
[(3-fluorophenyl)-phenylmethyl]urea
CID 15151796
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
2-chloro-2-(3-fluorophenyl)acetamide
CID 62225850
2-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzoic acid
CID 103258765
3-[amino-(3-fluorophenyl)methyl]benzoic acid
CID 116938725
3-[(1S)-1-amino-2-hydroxyethyl]-2-fluorobenzoic acid
CID 66514170

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide (CID 176657549) is 2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide is NC(=O)c1ccccc1[C@@H](CO)c1cccc(F)c1.
What is the InChIKey of 2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide?
The InChIKey is IZUUKJWZJMVIKD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-11-5-3-4-10(8-11)14(9-18)12-6-1-2-7-13(12)15(17)19/h1-8,14,18H,9H2,(H2,17,19)/t14-/m0/s1.
What are the key properties of 2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide?
2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide has a molecular weight of 259.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 176657549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).