N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide

C19H26FNO3 — CID 125138903

IUPACN-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide
SMILESO=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C1CCOCC1
InChIInChI=1S/C19H26FNO3/c20-16-5-3-14(4-6-16)12-19(9-1-2-17(19)22)13-21-18(23)15-7-10-24-11-8-15/h3-6,15,17,22H,1-2,7-13H2,(H,21,23)/t17-,19+/m1/s1
InChIKeyOUMULTUFFWMCJV-MJGOQNOKSA-N
MW335.42 g/mol
LogP2.44
Rot. Bonds5

About N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide

N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide (PubChem CID 125138903) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide
PubChem CID125138903
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC NameN-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide
SMILESO=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C1CCOCC1
InChIInChI=1S/C19H26FNO3/c20-16-5-3-14(4-6-16)12-19(9-1-2-17(19)22)13-21-18(23)15-7-10-24-11-8-15/h3-6,15,17,22H,1-2,7-13H2,(H,21,23)/t17-,19+/m1/s1
InChIKeyOUMULTUFFWMCJV-MJGOQNOKSA-N
XLogP2.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(cyclopropanecarbonyl)-N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]piperidine-3-carboxamide
CID 100636090
N-[[(1R,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]but-2-ynamide
CID 124872719
N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-pyridin-4-ylacetamide
CID 124721449
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-[[1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122011844
N-[[(1S,2S)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 124738221
ethyl N-[(2S)-1-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 124860541
N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]-3-(methylsulfamoyl)benzamide
CID 100635936
1-(2-fluorophenyl)-N-[[(1R,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]pyrazole-4-carboxamide
CID 100636068
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
N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113004684

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide (CID 125138903) is N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide is O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C1CCOCC1.
What is the InChIKey of N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide?
The InChIKey is OUMULTUFFWMCJV-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H26FNO3/c20-16-5-3-14(4-6-16)12-19(9-1-2-17(19)22)13-21-18(23)15-7-10-24-11-8-15/h3-6,15,17,22H,1-2,7-13H2,(H,21,23)/t17-,19+/m1/s1.
What are the key properties of N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide?
N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R)-1-[(4-fluorophenyl)methyl]-2-hydroxycyclopentyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 125138903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).