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

C17H22FN5O2 — CID 95354740

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CN1CCO[C@@H](Cn2cncn2)C1
InChIInChI=1S/C17H22FN5O2/c1-21(8-14-2-4-15(18)5-3-14)17(24)11-22-6-7-25-16(9-22)10-23-13-19-12-20-23/h2-5,12-13,16H,6-11H2,1H3/t16-/m1/s1
InChIKeyWGLBEOSPUZMMFL-MRXNPFEDSA-N
MW347.39 g/mol
LogP0.78
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide (PubChem CID 95354740) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
PubChem CID95354740
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CN1CCO[C@@H](Cn2cncn2)C1
InChIInChI=1S/C17H22FN5O2/c1-21(8-14-2-4-15(18)5-3-14)17(24)11-22-6-7-25-16(9-22)10-23-13-19-12-20-23/h2-5,12-13,16H,6-11H2,1H3/t16-/m1/s1
InChIKeyWGLBEOSPUZMMFL-MRXNPFEDSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide (CID 95354740) is N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide is CN(Cc1ccc(F)cc1)C(=O)CN1CCO[C@@H](Cn2cncn2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The InChIKey is WGLBEOSPUZMMFL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-21(8-14-2-4-15(18)5-3-14)17(24)11-22-6-7-25-16(9-22)10-23-13-19-12-20-23/h2-5,12-13,16H,6-11H2,1H3/t16-/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-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-[(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 95354740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).