N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ylacetamide

C14H16ClN5O2 — CID 8903895

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C14H16ClN5O2/c15-11-1-2-13(20-10-16-9-17-20)12(7-11)18-14(21)8-19-3-5-22-6-4-19/h1-2,7,9-10H,3-6,8H2,(H,18,21)
InChIKeyXLICZNCGJPUTGY-UHFFFAOYSA-N
MW321.77 g/mol
LogP1.19
Rot. Bonds4

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ylacetamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ylacetamide (PubChem CID 8903895) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ylacetamide
PubChem CID8903895
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C14H16ClN5O2/c15-11-1-2-13(20-10-16-9-17-20)12(7-11)18-14(21)8-19-3-5-22-6-4-19/h1-2,7,9-10H,3-6,8H2,(H,18,21)
InChIKeyXLICZNCGJPUTGY-UHFFFAOYSA-N
XLogP1.19
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ylacetamide (CID 8903895) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is XLICZNCGJPUTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c15-11-1-2-13(20-10-16-9-17-20)12(7-11)18-14(21)8-19-3-5-22-6-4-19/h1-2,7,9-10H,3-6,8H2,(H,18,21).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ylacetamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 321.77 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 8903895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).