N-[(2-fluorophenyl)methyl]-2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]acetamide

C16H23FN2O2 — CID 72901649

IUPACN-[(2-fluorophenyl)methyl]-2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]acetamide
SMILESCC1(C)CN(CC(=O)NCc2ccccc2F)C[C@]1(C)O
InChIInChI=1S/C16H23FN2O2/c1-15(2)10-19(11-16(15,3)21)9-14(20)18-8-12-6-4-5-7-13(12)17/h4-7,21H,8-11H2,1-3H3,(H,18,20)/t16-/m0/s1
InChIKeyQWZJQZMZLADRHR-INIZCTEOSA-N
MW294.37 g/mol
LogP1.53
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]acetamide

N-[(2-fluorophenyl)methyl]-2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]acetamide (PubChem CID 72901649) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]acetamide
PubChem CID72901649
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]acetamide
SMILESCC1(C)CN(CC(=O)NCc2ccccc2F)C[C@]1(C)O
InChIInChI=1S/C16H23FN2O2/c1-15(2)10-19(11-16(15,3)21)9-14(20)18-8-12-6-4-5-7-13(12)17/h4-7,21H,8-11H2,1-3H3,(H,18,20)/t16-/m0/s1
InChIKeyQWZJQZMZLADRHR-INIZCTEOSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]ethanediamide
CID 3156713
2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9363380
N1-(4-fluorobenzyl)-N2-(3-(2-oxopyrrolidin-1-yl)propyl)oxalamide
CID 18588579
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 47019478
N1-(2-cyclopropyl-2-hydroxypropyl)-N2-(4-fluorobenzyl)oxalamide
CID 52992795
(3R*,4R*)-1-[N-(2-fluorobenzyl)-N-methylglycyl]-3,4-dimethyl-3-pyrrolidinol
CID 72845351
(S)-1-{[(p-fluorophenyl)methyl]carbamoylcarbonylamino}-3-methoxy-2-methyl-2-propanol
CID 95368946
N1-benzyl-N2-(3-hydroxy-4,4-dimethylpentyl)oxalamide
CID 71787627
2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 4090746
N-butan-2-yl-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 4204381
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 5160515
2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 15994803

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]acetamide (CID 72901649) is N-[(2-fluorophenyl)methyl]-2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]acetamide is CC1(C)CN(CC(=O)NCc2ccccc2F)C[C@]1(C)O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]acetamide?
The InChIKey is QWZJQZMZLADRHR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-15(2)10-19(11-16(15,3)21)9-14(20)18-8-12-6-4-5-7-13(12)17/h4-7,21H,8-11H2,1-3H3,(H,18,20)/t16-/m0/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]acetamide?
N-[(2-fluorophenyl)methyl]-2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]acetamide has a molecular weight of 294.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 72901649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).