N-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

C17H23FN4O3 — CID 75305859

IUPACN-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESCc1cccc(NC(=O)CC2NC(=O)CC(N3CCOCC3)N2)c1F
InChIInChI=1S/C17H23FN4O3/c1-11-3-2-4-12(17(11)18)19-15(23)9-13-20-14(10-16(24)21-13)22-5-7-25-8-6-22/h2-4,13-14,20H,5-10H2,1H3,(H,19,23)(H,21,24)
InChIKeyNHYUGVUFHPAXOQ-UHFFFAOYSA-N
MW350.39 g/mol
LogP0.56
Rot. Bonds4

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

N-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (PubChem CID 75305859) has the molecular formula C17H23FN4O3 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
PubChem CID75305859
Molecular FormulaC17H23FN4O3
Molecular Weight350.39 g/mol
Exact Mass350.18
IUPAC NameN-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESCc1cccc(NC(=O)CC2NC(=O)CC(N3CCOCC3)N2)c1F
InChIInChI=1S/C17H23FN4O3/c1-11-3-2-4-12(17(11)18)19-15(23)9-13-20-14(10-16(24)21-13)22-5-7-25-8-6-22/h2-4,13-14,20H,5-10H2,1H3,(H,19,23)(H,21,24)
InChIKeyNHYUGVUFHPAXOQ-UHFFFAOYSA-N
XLogP0.56
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-fluoro-3-methylphenyl)-2-(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-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The IUPAC name of N-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (CID 75305859) is N-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.
What is the SMILES notation for N-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The canonical SMILES for N-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is Cc1cccc(NC(=O)CC2NC(=O)CC(N3CCOCC3)N2)c1F.
What is the InChIKey of N-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The InChIKey is NHYUGVUFHPAXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3/c1-11-3-2-4-12(17(11)18)19-15(23)9-13-20-14(10-16(24)21-13)22-5-7-25-8-6-22/h2-4,13-14,20H,5-10H2,1H3,(H,19,23)(H,21,24).
What are the key properties of N-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
N-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide has a molecular weight of 350.39 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is sourced from PubChem (CID 75305859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).