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

C17H22F2N4O4 — CID 75305887

IUPACN-(2,4-difluoro-3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESCOc1c(F)ccc(NC(=O)CC2NC(=O)CC(N3CCOCC3)N2)c1F
InChIInChI=1S/C17H22F2N4O4/c1-26-17-10(18)2-3-11(16(17)19)20-14(24)8-12-21-13(9-15(25)22-12)23-4-6-27-7-5-23/h2-3,12-13,21H,4-9H2,1H3,(H,20,24)(H,22,25)
InChIKeyJRBFZXNAAZDFDA-UHFFFAOYSA-N
MW384.38 g/mol
LogP0.40
Rot. Bonds5

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

N-(2,4-difluoro-3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (PubChem CID 75305887) has the molecular formula C17H22F2N4O4 and a molecular weight of 384.38 g/mol. Its IUPAC name is N-(2,4-difluoro-3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluoro-3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
PubChem CID75305887
Molecular FormulaC17H22F2N4O4
Molecular Weight384.38 g/mol
Exact Mass384.16
IUPAC NameN-(2,4-difluoro-3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESCOc1c(F)ccc(NC(=O)CC2NC(=O)CC(N3CCOCC3)N2)c1F
InChIInChI=1S/C17H22F2N4O4/c1-26-17-10(18)2-3-11(16(17)19)20-14(24)8-12-21-13(9-15(25)22-12)23-4-6-27-7-5-23/h2-3,12-13,21H,4-9H2,1H3,(H,20,24)(H,22,25)
InChIKeyJRBFZXNAAZDFDA-UHFFFAOYSA-N
XLogP0.40
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2,4-difluoro-3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The IUPAC name of N-(2,4-difluoro-3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (CID 75305887) is N-(2,4-difluoro-3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.
What is the SMILES notation for N-(2,4-difluoro-3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The canonical SMILES for N-(2,4-difluoro-3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is COc1c(F)ccc(NC(=O)CC2NC(=O)CC(N3CCOCC3)N2)c1F.
What is the InChIKey of N-(2,4-difluoro-3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The InChIKey is JRBFZXNAAZDFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O4/c1-26-17-10(18)2-3-11(16(17)19)20-14(24)8-12-21-13(9-15(25)22-12)23-4-6-27-7-5-23/h2-3,12-13,21H,4-9H2,1H3,(H,20,24)(H,22,25).
What are the key properties of N-(2,4-difluoro-3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
N-(2,4-difluoro-3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide has a molecular weight of 384.38 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-3-methoxyphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is sourced from PubChem (CID 75305887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).