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

C14H15Cl2N5O — CID 15904488

IUPACN-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(Nc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C14H15Cl2N5O/c1-14(2,3)21-10(22)8-5-4-6-9(7-8)17-13-19-11(15)18-12(16)20-13/h4-7H,1-3H3,(H,21,22)(H,17,18,19,20)
InChIKeyJZNORZISUPVVJH-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.45
Rot. Bonds3

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

N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide (PubChem CID 15904488) has the molecular formula C14H15Cl2N5O and a molecular weight of 340.21 g/mol. Its IUPAC name is N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide
PubChem CID15904488
Molecular FormulaC14H15Cl2N5O
Molecular Weight340.21 g/mol
Exact Mass339.07
IUPAC NameN-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(Nc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C14H15Cl2N5O/c1-14(2,3)21-10(22)8-5-4-6-9(7-8)17-13-19-11(15)18-12(16)20-13/h4-7H,1-3H3,(H,21,22)(H,17,18,19,20)
InChIKeyJZNORZISUPVVJH-UHFFFAOYSA-N
XLogP3.45
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide?
The IUPAC name of N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide (CID 15904488) is N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide is CC(C)(C)NC(=O)c1cccc(Nc2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide?
The InChIKey is JZNORZISUPVVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5O/c1-14(2,3)21-10(22)8-5-4-6-9(7-8)17-13-19-11(15)18-12(16)20-13/h4-7H,1-3H3,(H,21,22)(H,17,18,19,20).
What are the key properties of N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide?
N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide has a molecular weight of 340.21 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzamide is sourced from PubChem (CID 15904488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).