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

C10H7Cl2N5O — CID 20828220

IUPAC3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide
SMILESNC(=O)c1cccc(Nc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C10H7Cl2N5O/c11-8-15-9(12)17-10(16-8)14-6-3-1-2-5(4-6)7(13)18/h1-4H,(H2,13,18)(H,14,15,16,17)
InChIKeyFSOKTTCYIYNVHE-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.02
Rot. Bonds3

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

3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide (PubChem CID 20828220) has the molecular formula C10H7Cl2N5O and a molecular weight of 284.11 g/mol. Its IUPAC name is 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide.

Molecular Properties

Compound Name3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide
PubChem CID20828220
Molecular FormulaC10H7Cl2N5O
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide
SMILESNC(=O)c1cccc(Nc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C10H7Cl2N5O/c11-8-15-9(12)17-10(16-8)14-6-3-1-2-5(4-6)7(13)18/h1-4H,(H2,13,18)(H,14,15,16,17)
InChIKeyFSOKTTCYIYNVHE-UHFFFAOYSA-N
XLogP2.02
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide?
The IUPAC name of 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide (CID 20828220) is 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide.
What is the SMILES notation for 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide?
The canonical SMILES for 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide is NC(=O)c1cccc(Nc2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide?
The InChIKey is FSOKTTCYIYNVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N5O/c11-8-15-9(12)17-10(16-8)14-6-3-1-2-5(4-6)7(13)18/h1-4H,(H2,13,18)(H,14,15,16,17).
What are the key properties of 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide?
3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide has a molecular weight of 284.11 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide is sourced from PubChem (CID 20828220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).