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

C18H23Cl2N5O — CID 23116003

IUPAC4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2-methylheptan-2-yl)benzamide
SMILESCCCCCC(C)(C)NC(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C18H23Cl2N5O/c1-4-5-6-11-18(2,3)25-14(26)12-7-9-13(10-8-12)21-17-23-15(19)22-16(20)24-17/h7-10H,4-6,11H2,1-3H3,(H,25,26)(H,21,22,23,24)
InChIKeyAAJHSVWIRDYUMD-UHFFFAOYSA-N
MW396.32 g/mol
LogP5.01
Rot. Bonds8

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

4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2-methylheptan-2-yl)benzamide (PubChem CID 23116003) has the molecular formula C18H23Cl2N5O and a molecular weight of 396.32 g/mol. Its IUPAC name is 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2-methylheptan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2-methylheptan-2-yl)benzamide
PubChem CID23116003
Molecular FormulaC18H23Cl2N5O
Molecular Weight396.32 g/mol
Exact Mass395.13
IUPAC Name4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2-methylheptan-2-yl)benzamide
SMILESCCCCCC(C)(C)NC(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C18H23Cl2N5O/c1-4-5-6-11-18(2,3)25-14(26)12-7-9-13(10-8-12)21-17-23-15(19)22-16(20)24-17/h7-10H,4-6,11H2,1-3H3,(H,25,26)(H,21,22,23,24)
InChIKeyAAJHSVWIRDYUMD-UHFFFAOYSA-N
XLogP5.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.32
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2-methylheptan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2-methylheptan-2-yl)benzamide?
The IUPAC name of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2-methylheptan-2-yl)benzamide (CID 23116003) is 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2-methylheptan-2-yl)benzamide.
What is the SMILES notation for 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2-methylheptan-2-yl)benzamide?
The canonical SMILES for 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2-methylheptan-2-yl)benzamide is CCCCCC(C)(C)NC(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1.
What is the InChIKey of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2-methylheptan-2-yl)benzamide?
The InChIKey is AAJHSVWIRDYUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N5O/c1-4-5-6-11-18(2,3)25-14(26)12-7-9-13(10-8-12)21-17-23-15(19)22-16(20)24-17/h7-10H,4-6,11H2,1-3H3,(H,25,26)(H,21,22,23,24).
What are the key properties of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2-methylheptan-2-yl)benzamide?
4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2-methylheptan-2-yl)benzamide has a molecular weight of 396.32 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2-methylheptan-2-yl)benzamide is sourced from PubChem (CID 23116003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).