N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide

C20H23FN2O2 — CID 124721449

IUPACN-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O
InChIInChI=1S/C20H23FN2O2/c21-17-5-3-16(4-6-17)13-20(9-1-2-18(20)24)14-23-19(25)12-15-7-10-22-11-8-15/h3-8,10-11,18,24H,1-2,9,12-14H2,(H,23,25)/t18-,20-/m0/s1
InChIKeyADAVCNVDIAJFQL-ICSRJNTNSA-N
MW342.41 g/mol
LogP2.65
Rot. Bonds6

About N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide

N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide (PubChem CID 124721449) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide
PubChem CID124721449
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O
InChIInChI=1S/C20H23FN2O2/c21-17-5-3-16(4-6-17)13-20(9-1-2-18(20)24)14-23-19(25)12-15-7-10-22-11-8-15/h3-8,10-11,18,24H,1-2,9,12-14H2,(H,23,25)/t18-,20-/m0/s1
InChIKeyADAVCNVDIAJFQL-ICSRJNTNSA-N
XLogP2.65
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 124738221
N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide
CID 124872719
N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide
CID 125138903
N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 100635862
1-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122011844
4-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]cyclohexane-1-carboxylic acid
CID 122033506
4-[[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]methyl]benzoic acid
CID 122033505
1-(2-fluorophenyl)-N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]pyrazole-4-carboxamide
CID 100636068
N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide
CID 100635936
(3R)-1-(cyclopropanecarbonyl)-N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]piperidine-3-carboxamide
CID 100636090
ethyl N-[(2S)-1-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 124860541
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362285

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide (CID 124721449) is N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide is O=C(Cc1ccncc1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O.
What is the InChIKey of N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide?
The InChIKey is ADAVCNVDIAJFQL-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-17-5-3-16(4-6-17)13-20(9-1-2-18(20)24)14-23-19(25)12-15-7-10-22-11-8-15/h3-8,10-11,18,24H,1-2,9,12-14H2,(H,23,25)/t18-,20-/m0/s1.
What are the key properties of N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide?
N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide has a molecular weight of 342.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 124721449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).