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

C11H9Cl2N5O — CID 59284598

IUPAC2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H9Cl2N5O/c1-14-8(19)6-4-2-3-5-7(6)15-11-17-9(12)16-10(13)18-11/h2-5H,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyZSTBURFBRITDPJ-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.28
Rot. Bonds3

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

2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide (PubChem CID 59284598) 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]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide
PubChem CID59284598
Molecular FormulaC11H9Cl2N5O
Molecular Weight298.13 g/mol
Exact Mass297.02
IUPAC Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H9Cl2N5O/c1-14-8(19)6-4-2-3-5-7(6)15-11-17-9(12)16-10(13)18-11/h2-5H,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyZSTBURFBRITDPJ-UHFFFAOYSA-N
XLogP2.28
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.28
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]-N-methylbenzamide?
The IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide (CID 59284598) is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide.
What is the SMILES notation for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide?
The canonical SMILES for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide?
The InChIKey is ZSTBURFBRITDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N5O/c1-14-8(19)6-4-2-3-5-7(6)15-11-17-9(12)16-10(13)18-11/h2-5H,1H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide?
2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide has a molecular weight of 298.13 g/mol, XLogP of 2.28, 3 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]-N-methylbenzamide is sourced from PubChem (CID 59284598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).