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

C16H19F3N4O3 — CID 75305960

IUPAC2,2-difluoro-N-(4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESO=C1CC(N2CCOCC2)NC(C(F)(F)C(=O)Nc2ccc(F)cc2)N1
InChIInChI=1S/C16H19F3N4O3/c17-10-1-3-11(4-2-10)20-15(25)16(18,19)14-21-12(9-13(24)22-14)23-5-7-26-8-6-23/h1-4,12,14,21H,5-9H2,(H,20,25)(H,22,24)
InChIKeyWXXGDUMSYINEPW-UHFFFAOYSA-N
MW372.35 g/mol
LogP0.49
Rot. Bonds4

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

2,2-difluoro-N-(4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (PubChem CID 75305960) has the molecular formula C16H19F3N4O3 and a molecular weight of 372.35 g/mol. Its IUPAC name is 2,2-difluoro-N-(4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
PubChem CID75305960
Molecular FormulaC16H19F3N4O3
Molecular Weight372.35 g/mol
Exact Mass372.14
IUPAC Name2,2-difluoro-N-(4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESO=C1CC(N2CCOCC2)NC(C(F)(F)C(=O)Nc2ccc(F)cc2)N1
InChIInChI=1S/C16H19F3N4O3/c17-10-1-3-11(4-2-10)20-15(25)16(18,19)14-21-12(9-13(24)22-14)23-5-7-26-8-6-23/h1-4,12,14,21H,5-9H2,(H,20,25)(H,22,24)
InChIKeyWXXGDUMSYINEPW-UHFFFAOYSA-N
XLogP0.49
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (CID 75305960) is 2,2-difluoro-N-(4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is O=C1CC(N2CCOCC2)NC(C(F)(F)C(=O)Nc2ccc(F)cc2)N1.
What is the InChIKey of 2,2-difluoro-N-(4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The InChIKey is WXXGDUMSYINEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O3/c17-10-1-3-11(4-2-10)20-15(25)16(18,19)14-21-12(9-13(24)22-14)23-5-7-26-8-6-23/h1-4,12,14,21H,5-9H2,(H,20,25)(H,22,24).
What are the key properties of 2,2-difluoro-N-(4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
2,2-difluoro-N-(4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide has a molecular weight of 372.35 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is sourced from PubChem (CID 75305960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).