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

C17H21F3N4O3 — CID 75305959

IUPACN-[3-(difluoromethyl)-4-fluorophenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1ccc(F)c(C(F)F)c1
InChIInChI=1S/C17H21F3N4O3/c18-12-2-1-10(7-11(12)17(19)20)21-15(25)8-13-22-14(9-16(26)23-13)24-3-5-27-6-4-24/h1-2,7,13-14,17,22H,3-6,8-9H2,(H,21,25)(H,23,26)
InChIKeyFCAPYJRVMGQBFU-UHFFFAOYSA-N
MW386.37 g/mol
LogP1.19
Rot. Bonds5

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

N-[3-(difluoromethyl)-4-fluorophenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (PubChem CID 75305959) has the molecular formula C17H21F3N4O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-4-fluorophenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-4-fluorophenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
PubChem CID75305959
Molecular FormulaC17H21F3N4O3
Molecular Weight386.37 g/mol
Exact Mass386.16
IUPAC NameN-[3-(difluoromethyl)-4-fluorophenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1ccc(F)c(C(F)F)c1
InChIInChI=1S/C17H21F3N4O3/c18-12-2-1-10(7-11(12)17(19)20)21-15(25)8-13-22-14(9-16(26)23-13)24-3-5-27-6-4-24/h1-2,7,13-14,17,22H,3-6,8-9H2,(H,21,25)(H,23,26)
InChIKeyFCAPYJRVMGQBFU-UHFFFAOYSA-N
XLogP1.19
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-4-fluorophenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The IUPAC name of N-[3-(difluoromethyl)-4-fluorophenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (CID 75305959) is N-[3-(difluoromethyl)-4-fluorophenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.
What is the SMILES notation for N-[3-(difluoromethyl)-4-fluorophenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The canonical SMILES for N-[3-(difluoromethyl)-4-fluorophenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is O=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1ccc(F)c(C(F)F)c1.
What is the InChIKey of N-[3-(difluoromethyl)-4-fluorophenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The InChIKey is FCAPYJRVMGQBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O3/c18-12-2-1-10(7-11(12)17(19)20)21-15(25)8-13-22-14(9-16(26)23-13)24-3-5-27-6-4-24/h1-2,7,13-14,17,22H,3-6,8-9H2,(H,21,25)(H,23,26).
What are the key properties of N-[3-(difluoromethyl)-4-fluorophenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
N-[3-(difluoromethyl)-4-fluorophenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide has a molecular weight of 386.37 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-4-fluorophenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is sourced from PubChem (CID 75305959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).