N-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide

C18H21F2N5O3 — CID 118438284

IUPACN-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide
SMILESCCOc1cccc(F)c1N(C(C)=O)c1nc(NC(C)=O)nc(C(C)(C)F)n1
InChIInChI=1S/C18H21F2N5O3/c1-6-28-13-9-7-8-12(19)14(13)25(11(3)27)17-23-15(18(4,5)20)22-16(24-17)21-10(2)26/h7-9H,6H2,1-5H3,(H,21,22,23,24,26)
InChIKeyWVPWBEHBJGGTOF-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.26
Rot. Bonds6

About N-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide

N-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide (PubChem CID 118438284) has the molecular formula C18H21F2N5O3 and a molecular weight of 393.39 g/mol. Its IUPAC name is N-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide
PubChem CID118438284
Molecular FormulaC18H21F2N5O3
Molecular Weight393.39 g/mol
Exact Mass393.16
IUPAC NameN-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide
SMILESCCOc1cccc(F)c1N(C(C)=O)c1nc(NC(C)=O)nc(C(C)(C)F)n1
InChIInChI=1S/C18H21F2N5O3/c1-6-28-13-9-7-8-12(19)14(13)25(11(3)27)17-23-15(18(4,5)20)22-16(24-17)21-10(2)26/h7-9H,6H2,1-5H3,(H,21,22,23,24,26)
InChIKeyWVPWBEHBJGGTOF-UHFFFAOYSA-N
XLogP3.26
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide 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 N-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide (CID 118438284) is N-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide is CCOc1cccc(F)c1N(C(C)=O)c1nc(NC(C)=O)nc(C(C)(C)F)n1.
What is the InChIKey of N-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide?
The InChIKey is WVPWBEHBJGGTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O3/c1-6-28-13-9-7-8-12(19)14(13)25(11(3)27)17-23-15(18(4,5)20)22-16(24-17)21-10(2)26/h7-9H,6H2,1-5H3,(H,21,22,23,24,26).
What are the key properties of N-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide?
N-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide has a molecular weight of 393.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-acetyl-2-ethoxy-6-fluoroanilino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 118438284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).