N-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide

C18H25FN2O3 — CID 129483920

IUPACN-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide
SMILESO=C(CN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)NCc1ccccc1F
InChIInChI=1S/C18H25FN2O3/c19-15-6-2-1-4-13(15)10-20-18(23)11-21-8-9-24-12-16(21)14-5-3-7-17(14)22/h1-2,4,6,14,16-17,22H,3,5,7-12H2,(H,20,23)/t14-,16-,17+/m1/s1
InChIKeyKJPTVPJDWAFIDI-OIISXLGYSA-N
MW336.41 g/mol
LogP1.30
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide

N-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide (PubChem CID 129483920) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide
PubChem CID129483920
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide
SMILESO=C(CN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)NCc1ccccc1F
InChIInChI=1S/C18H25FN2O3/c19-15-6-2-1-4-13(15)10-20-18(23)11-21-8-9-24-12-16(21)14-5-3-7-17(14)22/h1-2,4,6,14,16-17,22H,3,5,7-12H2,(H,20,23)/t14-,16-,17+/m1/s1
InChIKeyKJPTVPJDWAFIDI-OIISXLGYSA-N
XLogP1.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide
CID 129483919
2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 129484481
2-[4-[2-(2-fluorophenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol
CID 128985759
N-benzyl-2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-methylacetamide
CID 129484311
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 17428154
2-[[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483866
2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916023
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60672266
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
1-(2-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-2-one
CID 43796410
2-(2,4-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 71877586

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide (CID 129483920) is N-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide is O=C(CN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide?
The InChIKey is KJPTVPJDWAFIDI-OIISXLGYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c19-15-6-2-1-4-13(15)10-20-18(23)11-21-8-9-24-12-16(21)14-5-3-7-17(14)22/h1-2,4,6,14,16-17,22H,3,5,7-12H2,(H,20,23)/t14-,16-,17+/m1/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide?
N-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide has a molecular weight of 336.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 129483920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).