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

C11H10ClN5O — CID 59284485

IUPAC2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1ncnc(Cl)n1
InChIInChI=1S/C11H10ClN5O/c1-13-9(18)7-4-2-3-5-8(7)16-11-15-6-14-10(12)17-11/h2-6H,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyPMWZMZPDEDBVJU-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.63
Rot. Bonds3

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

2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide (PubChem CID 59284485) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide
PubChem CID59284485
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1ncnc(Cl)n1
InChIInChI=1S/C11H10ClN5O/c1-13-9(18)7-4-2-3-5-8(7)16-11-15-6-14-10(12)17-11/h2-6H,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyPMWZMZPDEDBVJU-UHFFFAOYSA-N
XLogP1.63
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide?
The IUPAC name of 2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide (CID 59284485) is 2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide.
What is the SMILES notation for 2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide?
The canonical SMILES for 2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1ncnc(Cl)n1.
What is the InChIKey of 2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide?
The InChIKey is PMWZMZPDEDBVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c1-13-9(18)7-4-2-3-5-8(7)16-11-15-6-14-10(12)17-11/h2-6H,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide?
2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide has a molecular weight of 263.69 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 59284485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).