2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide

C20H28F2N2O2 — CID 95576076

IUPAC2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CN1CCC[C@@H]1C1CCCCC1)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H28F2N2O2/c21-20(22)26-17-10-8-15(9-11-17)13-23-19(25)14-24-12-4-7-18(24)16-5-2-1-3-6-16/h8-11,16,18,20H,1-7,12-14H2,(H,23,25)/t18-/m1/s1
InChIKeyHJJCNFQVUNPCRM-GOSISDBHSA-N
MW366.45 g/mol
LogP3.95
Rot. Bonds7

About 2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide

2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide (PubChem CID 95576076) has the molecular formula C20H28F2N2O2 and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
PubChem CID95576076
Molecular FormulaC20H28F2N2O2
Molecular Weight366.45 g/mol
Exact Mass366.21
IUPAC Name2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CN1CCC[C@@H]1C1CCCCC1)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H28F2N2O2/c21-20(22)26-17-10-8-15(9-11-17)13-23-19(25)14-24-12-4-7-18(24)16-5-2-1-3-6-16/h8-11,16,18,20H,1-7,12-14H2,(H,23,25)/t18-/m1/s1
InChIKeyHJJCNFQVUNPCRM-GOSISDBHSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921510
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
CID 11930936
2-cyclopentyl-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 134029016
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918578
4-(cyclohexylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
CID 18146757
2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 60703371
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 134029023
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 46405546
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 95319020
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583381
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 17402111
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide (CID 95576076) is 2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide is O=C(CN1CCC[C@@H]1C1CCCCC1)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is HJJCNFQVUNPCRM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28F2N2O2/c21-20(22)26-17-10-8-15(9-11-17)13-23-19(25)14-24-12-4-7-18(24)16-5-2-1-3-6-16/h8-11,16,18,20H,1-7,12-14H2,(H,23,25)/t18-/m1/s1.
What are the key properties of 2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide?
2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 366.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 95576076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).