N-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

C18H23F3N4O3 — CID 127053702

IUPACN-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESCN1C(=O)CC(N2CCOCC2)NC1CC(=O)Nc1ccc(F)c(C(F)F)c1
InChIInChI=1S/C18H23F3N4O3/c1-24-14(23-15(10-17(24)27)25-4-6-28-7-5-25)9-16(26)22-11-2-3-13(19)12(8-11)18(20)21/h2-3,8,14-15,18,23H,4-7,9-10H2,1H3,(H,22,26)
InChIKeyQDDYGEPAQVABRO-UHFFFAOYSA-N
MW400.40 g/mol
LogP1.53
Rot. Bonds5

About N-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

N-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (PubChem CID 127053702) has the molecular formula C18H23F3N4O3 and a molecular weight of 400.40 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
PubChem CID127053702
Molecular FormulaC18H23F3N4O3
Molecular Weight400.40 g/mol
Exact Mass400.17
IUPAC NameN-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESCN1C(=O)CC(N2CCOCC2)NC1CC(=O)Nc1ccc(F)c(C(F)F)c1
InChIInChI=1S/C18H23F3N4O3/c1-24-14(23-15(10-17(24)27)25-4-6-28-7-5-25)9-16(26)22-11-2-3-13(19)12(8-11)18(20)21/h2-3,8,14-15,18,23H,4-7,9-10H2,1H3,(H,22,26)
InChIKeyQDDYGEPAQVABRO-UHFFFAOYSA-N
XLogP1.53
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-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-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The IUPAC name of N-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (CID 127053702) is N-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.
What is the SMILES notation for N-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The canonical SMILES for N-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is CN1C(=O)CC(N2CCOCC2)NC1CC(=O)Nc1ccc(F)c(C(F)F)c1.
What is the InChIKey of N-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The InChIKey is QDDYGEPAQVABRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O3/c1-24-14(23-15(10-17(24)27)25-4-6-28-7-5-25)9-16(26)22-11-2-3-13(19)12(8-11)18(20)21/h2-3,8,14-15,18,23H,4-7,9-10H2,1H3,(H,22,26).
What are the key properties of N-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
N-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide has a molecular weight of 400.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is sourced from PubChem (CID 127053702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).