3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide

C18H24F2N2O2 — CID 23349757

IUPAC3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(F)c1)C1CCCCC1N1CCC(O)C1
InChIInChI=1S/C18H24F2N2O2/c1-21(18(24)12-6-7-14(19)15(20)10-12)16-4-2-3-5-17(16)22-9-8-13(23)11-22/h6-7,10,13,16-17,23H,2-5,8-9,11H2,1H3
InChIKeyYJKDXXJFXULVDD-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.41
Rot. Bonds3

About 3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide

3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide (PubChem CID 23349757) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide
PubChem CID23349757
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(F)c1)C1CCCCC1N1CCC(O)C1
InChIInChI=1S/C18H24F2N2O2/c1-21(18(24)12-6-7-14(19)15(20)10-12)16-4-2-3-5-17(16)22-9-8-13(23)11-22/h6-7,10,13,16-17,23H,2-5,8-9,11H2,1H3
InChIKeyYJKDXXJFXULVDD-UHFFFAOYSA-N
XLogP2.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide?
The IUPAC name of 3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide (CID 23349757) is 3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide is CN(C(=O)c1ccc(F)c(F)c1)C1CCCCC1N1CCC(O)C1.
What is the InChIKey of 3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide?
The InChIKey is YJKDXXJFXULVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-21(18(24)12-6-7-14(19)15(20)10-12)16-4-2-3-5-17(16)22-9-8-13(23)11-22/h6-7,10,13,16-17,23H,2-5,8-9,11H2,1H3.
What are the key properties of 3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide?
3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide has a molecular weight of 338.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide is sourced from PubChem (CID 23349757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).