N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide

C18H23FN4O2 — CID 95277610

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESO=C(CN1CCO[C@@H](Cn2cccn2)C1)NCCc1ccc(F)cc1
InChIInChI=1S/C18H23FN4O2/c19-16-4-2-15(3-5-16)6-8-20-18(24)14-22-10-11-25-17(12-22)13-23-9-1-7-21-23/h1-5,7,9,17H,6,8,10-14H2,(H,20,24)/t17-/m1/s1
InChIKeyLNQXKCXFDLBZMU-QGZVFWFLSA-N
MW346.41 g/mol
LogP1.08
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide (PubChem CID 95277610) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
PubChem CID95277610
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESO=C(CN1CCO[C@@H](Cn2cccn2)C1)NCCc1ccc(F)cc1
InChIInChI=1S/C18H23FN4O2/c19-16-4-2-15(3-5-16)6-8-20-18(24)14-22-10-11-25-17(12-22)13-23-9-1-7-21-23/h1-5,7,9,17H,6,8,10-14H2,(H,20,24)/t17-/m1/s1
InChIKeyLNQXKCXFDLBZMU-QGZVFWFLSA-N
XLogP1.08
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide
CID 95279241
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95276948
N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95321575
2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95279234
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 122150903
4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122021186
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 86895516
3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide
CID 95299116
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 95288616
2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86895509

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide (CID 95277610) is N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide is O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide?
The InChIKey is LNQXKCXFDLBZMU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23FN4O2/c19-16-4-2-15(3-5-16)6-8-20-18(24)14-22-10-11-25-17(12-22)13-23-9-1-7-21-23/h1-5,7,9,17H,6,8,10-14H2,(H,20,24)/t17-/m1/s1.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 95277610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).