N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2-fluoro-5-hydroxybenzamide

C18H25FN2O2 — CID 125166413

IUPACN-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2-fluoro-5-hydroxybenzamide
SMILESO=C(NC[C@H]1CCN(C2CCCCC2)C1)c1cc(O)ccc1F
InChIInChI=1S/C18H25FN2O2/c19-17-7-6-15(22)10-16(17)18(23)20-11-13-8-9-21(12-13)14-4-2-1-3-5-14/h6-7,10,13-14,22H,1-5,8-9,11-12H2,(H,20,23)/t13-/m1/s1
InChIKeyKHZKSHOBZKQXIU-CYBMUJFWSA-N
MW320.41 g/mol
LogP2.92
Rot. Bonds4

About N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2-fluoro-5-hydroxybenzamide

N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2-fluoro-5-hydroxybenzamide (PubChem CID 125166413) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2-fluoro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2-fluoro-5-hydroxybenzamide
PubChem CID125166413
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2-fluoro-5-hydroxybenzamide
SMILESO=C(NC[C@H]1CCN(C2CCCCC2)C1)c1cc(O)ccc1F
InChIInChI=1S/C18H25FN2O2/c19-17-7-6-15(22)10-16(17)18(23)20-11-13-8-9-21(12-13)14-4-2-1-3-5-14/h6-7,10,13-14,22H,1-5,8-9,11-12H2,(H,20,23)/t13-/m1/s1
InChIKeyKHZKSHOBZKQXIU-CYBMUJFWSA-N
XLogP2.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2-fluoro-5-hydroxybenzamide?
The IUPAC name of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2-fluoro-5-hydroxybenzamide (CID 125166413) is N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2-fluoro-5-hydroxybenzamide.
What is the SMILES notation for N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2-fluoro-5-hydroxybenzamide?
The canonical SMILES for N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2-fluoro-5-hydroxybenzamide is O=C(NC[C@H]1CCN(C2CCCCC2)C1)c1cc(O)ccc1F.
What is the InChIKey of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2-fluoro-5-hydroxybenzamide?
The InChIKey is KHZKSHOBZKQXIU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25FN2O2/c19-17-7-6-15(22)10-16(17)18(23)20-11-13-8-9-21(12-13)14-4-2-1-3-5-14/h6-7,10,13-14,22H,1-5,8-9,11-12H2,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2-fluoro-5-hydroxybenzamide?
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2-fluoro-5-hydroxybenzamide has a molecular weight of 320.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2-fluoro-5-hydroxybenzamide is sourced from PubChem (CID 125166413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).