2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide

C24H26F5N3O4 — CID 139268438

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide
SMILESCOc1ccc(CC2NC(=O)CC(C(=O)N[C@@H](c3ccc(OC(F)(F)F)c(F)c3)C(C)C)N2)cc1F
InChIInChI=1S/C24H26F5N3O4/c1-12(2)22(14-5-7-19(16(26)10-14)36-24(27,28)29)32-23(34)17-11-21(33)31-20(30-17)9-13-4-6-18(35-3)15(25)8-13/h4-8,10,12,17,20,22,30H,9,11H2,1-3H3,(H,31,33)(H,32,34)/t17?,20?,22-/m1/s1
InChIKeyNXHSVXTUBJDBPH-INXVGGANSA-N
MW515.48 g/mol
LogP3.73
Rot. Bonds8

About 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide

2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268438) has the molecular formula C24H26F5N3O4 and a molecular weight of 515.48 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139268438
Molecular FormulaC24H26F5N3O4
Molecular Weight515.48 g/mol
Exact Mass515.18
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide
SMILESCOc1ccc(CC2NC(=O)CC(C(=O)N[C@@H](c3ccc(OC(F)(F)F)c(F)c3)C(C)C)N2)cc1F
InChIInChI=1S/C24H26F5N3O4/c1-12(2)22(14-5-7-19(16(26)10-14)36-24(27,28)29)32-23(34)17-11-21(33)31-20(30-17)9-13-4-6-18(35-3)15(25)8-13/h4-8,10,12,17,20,22,30H,9,11H2,1-3H3,(H,31,33)(H,32,34)/t17?,20?,22-/m1/s1
InChIKeyNXHSVXTUBJDBPH-INXVGGANSA-N
XLogP3.73
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.48
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide 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 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide (CID 139268438) is 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide is COc1ccc(CC2NC(=O)CC(C(=O)N[C@@H](c3ccc(OC(F)(F)F)c(F)c3)C(C)C)N2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is NXHSVXTUBJDBPH-INXVGGANSA-N. The full InChI is InChI=1S/C24H26F5N3O4/c1-12(2)22(14-5-7-19(16(26)10-14)36-24(27,28)29)32-23(34)17-11-21(33)31-20(30-17)9-13-4-6-18(35-3)15(25)8-13/h4-8,10,12,17,20,22,30H,9,11H2,1-3H3,(H,31,33)(H,32,34)/t17?,20?,22-/m1/s1.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide?
2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 515.48 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).