N-[2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide

C15H17Cl3N6O2 — CID 4642981

IUPACN-[2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCCNc1nc(Cl)nc(NCCNC(=O)COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H17Cl3N6O2/c1-2-19-14-22-13(18)23-15(24-14)21-6-5-20-12(25)8-26-11-4-3-9(16)7-10(11)17/h3-4,7H,2,5-6,8H2,1H3,(H,20,25)(H2,19,21,22,23,24)
InChIKeyONFUYMBWBZJATM-UHFFFAOYSA-N
MW419.70 g/mol
LogP2.87
Rot. Bonds9

About N-[2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide

N-[2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 4642981) has the molecular formula C15H17Cl3N6O2 and a molecular weight of 419.70 g/mol. Its IUPAC name is N-[2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID4642981
Molecular FormulaC15H17Cl3N6O2
Molecular Weight419.70 g/mol
Exact Mass418.05
IUPAC NameN-[2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCCNc1nc(Cl)nc(NCCNC(=O)COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H17Cl3N6O2/c1-2-19-14-22-13(18)23-15(24-14)21-6-5-20-12(25)8-26-11-4-3-9(16)7-10(11)17/h3-4,7H,2,5-6,8H2,1H3,(H,20,25)(H2,19,21,22,23,24)
InChIKeyONFUYMBWBZJATM-UHFFFAOYSA-N
XLogP2.87
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.70
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide (CID 4642981) is N-[2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide is CCNc1nc(Cl)nc(NCCNC(=O)COc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-[2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is ONFUYMBWBZJATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl3N6O2/c1-2-19-14-22-13(18)23-15(24-14)21-6-5-20-12(25)8-26-11-4-3-9(16)7-10(11)17/h3-4,7H,2,5-6,8H2,1H3,(H,20,25)(H2,19,21,22,23,24).
What are the key properties of N-[2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 419.70 g/mol, XLogP of 2.87, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 4642981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).