2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide

C18H16F2N2O3 — CID 99718154

IUPAC2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide
SMILESO=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(O)cc1F
InChIInChI=1S/C18H16F2N2O3/c19-13-4-1-2-6-16(13)22-9-3-5-15(18(22)25)21-17(24)12-8-7-11(23)10-14(12)20/h1-2,4,6-8,10,15,23H,3,5,9H2,(H,21,24)/t15-/m0/s1
InChIKeyPJLMSQCHLVZHGP-HNNXBMFYSA-N
MW346.33 g/mol
LogP2.60
Rot. Bonds3

About 2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide

2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide (PubChem CID 99718154) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide
PubChem CID99718154
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide
SMILESO=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(O)cc1F
InChIInChI=1S/C18H16F2N2O3/c19-13-4-1-2-6-16(13)22-9-3-5-15(18(22)25)21-17(24)12-8-7-11(23)10-14(12)20/h1-2,4,6-8,10,15,23H,3,5,9H2,(H,21,24)/t15-/m0/s1
InChIKeyPJLMSQCHLVZHGP-HNNXBMFYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide?
The IUPAC name of 2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide (CID 99718154) is 2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide.
What is the SMILES notation for 2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide?
The canonical SMILES for 2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide is O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide?
The InChIKey is PJLMSQCHLVZHGP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c19-13-4-1-2-6-16(13)22-9-3-5-15(18(22)25)21-17(24)12-8-7-11(23)10-14(12)20/h1-2,4,6-8,10,15,23H,3,5,9H2,(H,21,24)/t15-/m0/s1.
What are the key properties of 2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide?
2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide has a molecular weight of 346.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide is sourced from PubChem (CID 99718154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).