3-(3-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide

C19H18FNO2 — CID 91783164

IUPAC3-(3-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
SMILESO=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C19H18FNO2/c20-15-6-2-4-13(10-15)12-3-1-5-14(9-12)19(22)21-17-11-18-16(17)7-8-23-18/h1-6,9-10,16-18H,7-8,11H2,(H,21,22)/t16-,17+,18+/m1/s1
InChIKeyJOPRVWOUAONVBJ-SQNIBIBYSA-N
MW311.36 g/mol
LogP3.40
Rot. Bonds3

About 3-(3-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide

3-(3-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide (PubChem CID 91783164) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
PubChem CID91783164
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name3-(3-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
SMILESO=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C19H18FNO2/c20-15-6-2-4-13(10-15)12-3-1-5-14(9-12)19(22)21-17-11-18-16(17)7-8-23-18/h1-6,9-10,16-18H,7-8,11H2,(H,21,22)/t16-,17+,18+/m1/s1
InChIKeyJOPRVWOUAONVBJ-SQNIBIBYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide (CID 91783164) is 3-(3-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide is O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide?
The InChIKey is JOPRVWOUAONVBJ-SQNIBIBYSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-15-6-2-4-13(10-15)12-3-1-5-14(9-12)19(22)21-17-11-18-16(17)7-8-23-18/h1-6,9-10,16-18H,7-8,11H2,(H,21,22)/t16-,17+,18+/m1/s1.
What are the key properties of 3-(3-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide?
3-(3-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide has a molecular weight of 311.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide is sourced from PubChem (CID 91783164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).