3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide

C11H18F2N2O2 — CID 114226262

IUPAC3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
SMILESO=C(NCC1(O)CCNC1)C1CCC(F)(F)C1
InChIInChI=1S/C11H18F2N2O2/c12-11(13)2-1-8(5-11)9(16)15-7-10(17)3-4-14-6-10/h8,14,17H,1-7H2,(H,15,16)
InChIKeyPEJCJSYGNDMISW-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.26
Rot. Bonds3

About 3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide

3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 114226262) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
PubChem CID114226262
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
SMILESO=C(NCC1(O)CCNC1)C1CCC(F)(F)C1
InChIInChI=1S/C11H18F2N2O2/c12-11(13)2-1-8(5-11)9(16)15-7-10(17)3-4-14-6-10/h8,14,17H,1-7H2,(H,15,16)
InChIKeyPEJCJSYGNDMISW-UHFFFAOYSA-N
XLogP0.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 114760533
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107176150
N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide
CID 114760680
3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 114226274
(1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide
CID 129348874
2-cyclobutyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 103162273
2-cyclopentyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 114760691
3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 114760734
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea
CID 114760994
2,3,4,5,6-pentafluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 114760608
N-[(3-fluoroazetidin-3-yl)methyl]cyclobutanecarboxamide
CID 165476129

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide (CID 114226262) is 3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide is O=C(NCC1(O)CCNC1)C1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is PEJCJSYGNDMISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c12-11(13)2-1-8(5-11)9(16)15-7-10(17)3-4-14-6-10/h8,14,17H,1-7H2,(H,15,16).
What are the key properties of 3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide?
3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 248.27 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 114226262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).