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

C17H22FN5O2 — CID 95610060

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESCN(Cc1cccc(F)c1)C(=O)CN1CCO[C@H](Cn2cncn2)C1
InChIInChI=1S/C17H22FN5O2/c1-21(8-14-3-2-4-15(18)7-14)17(24)11-22-5-6-25-16(9-22)10-23-13-19-12-20-23/h2-4,7,12-13,16H,5-6,8-11H2,1H3/t16-/m0/s1
InChIKeyOVYSNHSSQJINCP-INIZCTEOSA-N
MW347.39 g/mol
LogP0.78
Rot. Bonds6

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

N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide (PubChem CID 95610060) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
PubChem CID95610060
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESCN(Cc1cccc(F)c1)C(=O)CN1CCO[C@H](Cn2cncn2)C1
InChIInChI=1S/C17H22FN5O2/c1-21(8-14-3-2-4-15(18)7-14)17(24)11-22-5-6-25-16(9-22)10-23-13-19-12-20-23/h2-4,7,12-13,16H,5-6,8-11H2,1H3/t16-/m0/s1
InChIKeyOVYSNHSSQJINCP-INIZCTEOSA-N
XLogP0.78
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 56802736
N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95609763
N-methyl-N-[(1R)-1-phenylethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 100843546
1-[benzyl(methyl)amino]-3-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 56802826
(2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95610123
1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]ethanone
CID 98761733
N-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95750628
1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530730
N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 60507641
(1S)-1-(4-fluorophenyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 95329376
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95349962
2-phenyl-1-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 56780681

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide (CID 95610060) is N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide is CN(Cc1cccc(F)c1)C(=O)CN1CCO[C@H](Cn2cncn2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The InChIKey is OVYSNHSSQJINCP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-21(8-14-3-2-4-15(18)7-14)17(24)11-22-5-6-25-16(9-22)10-23-13-19-12-20-23/h2-4,7,12-13,16H,5-6,8-11H2,1H3/t16-/m0/s1.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide has a molecular weight of 347.39 g/mol, XLogP of 0.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 95610060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).