2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-phenylacetamide

C11H9Cl2N5O — CID 102520675

IUPAC2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-phenylacetamide
SMILESNC(=O)C(Nc1nc(Cl)nc(Cl)n1)c1ccccc1
InChIInChI=1S/C11H9Cl2N5O/c12-9-16-10(13)18-11(17-9)15-7(8(14)19)6-4-2-1-3-5-6/h1-5,7H,(H2,14,19)(H,15,16,17,18)
InChIKeyHBVNHFBRGQHLRS-UHFFFAOYSA-N
MW298.13 g/mol
LogP1.82
Rot. Bonds4

About 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-phenylacetamide

2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-phenylacetamide (PubChem CID 102520675) has the molecular formula C11H9Cl2N5O and a molecular weight of 298.13 g/mol. Its IUPAC name is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-phenylacetamide
PubChem CID102520675
Molecular FormulaC11H9Cl2N5O
Molecular Weight298.13 g/mol
Exact Mass297.02
IUPAC Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-phenylacetamide
SMILESNC(=O)C(Nc1nc(Cl)nc(Cl)n1)c1ccccc1
InChIInChI=1S/C11H9Cl2N5O/c12-9-16-10(13)18-11(17-9)15-7(8(14)19)6-4-2-1-3-5-6/h1-5,7H,(H2,14,19)(H,15,16,17,18)
InChIKeyHBVNHFBRGQHLRS-UHFFFAOYSA-N
XLogP1.82
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-phenylacetamide?
The IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-phenylacetamide (CID 102520675) is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-phenylacetamide.
What is the SMILES notation for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-phenylacetamide?
The canonical SMILES for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-phenylacetamide is NC(=O)C(Nc1nc(Cl)nc(Cl)n1)c1ccccc1.
What is the InChIKey of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-phenylacetamide?
The InChIKey is HBVNHFBRGQHLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N5O/c12-9-16-10(13)18-11(17-9)15-7(8(14)19)6-4-2-1-3-5-6/h1-5,7H,(H2,14,19)(H,15,16,17,18).
What are the key properties of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-phenylacetamide?
2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-phenylacetamide has a molecular weight of 298.13 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-phenylacetamide is sourced from PubChem (CID 102520675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).