N-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide

C18H13ClF3N5O2 — CID 164611022

IUPACN-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H13ClF3N5O2/c1-10(28)23-12-4-2-11(3-5-12)15-25-16(19)27-17(26-15)24-13-6-8-14(9-7-13)29-18(20,21)22/h2-9H,1H3,(H,23,28)(H,24,25,26,27)
InChIKeyZOMQQBTXFIERJU-UHFFFAOYSA-N
MW423.78 g/mol
LogP4.79
Rot. Bonds5

About N-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide

N-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide (PubChem CID 164611022) has the molecular formula C18H13ClF3N5O2 and a molecular weight of 423.78 g/mol. Its IUPAC name is N-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide
PubChem CID164611022
Molecular FormulaC18H13ClF3N5O2
Molecular Weight423.78 g/mol
Exact Mass423.07
IUPAC NameN-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H13ClF3N5O2/c1-10(28)23-12-4-2-11(3-5-12)15-25-16(19)27-17(26-15)24-13-6-8-14(9-7-13)29-18(20,21)22/h2-9H,1H3,(H,23,28)(H,24,25,26,27)
InChIKeyZOMQQBTXFIERJU-UHFFFAOYSA-N
XLogP4.79
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.78
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide (CID 164611022) is N-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(Cl)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1.
What is the InChIKey of N-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide?
The InChIKey is ZOMQQBTXFIERJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N5O2/c1-10(28)23-12-4-2-11(3-5-12)15-25-16(19)27-17(26-15)24-13-6-8-14(9-7-13)29-18(20,21)22/h2-9H,1H3,(H,23,28)(H,24,25,26,27).
What are the key properties of N-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide?
N-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide has a molecular weight of 423.78 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-chloro-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 164611022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).