N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide

C21H19F4N3O2 — CID 139268076

IUPACN-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
SMILESO=C1CC(C(=O)NC2(c3ccc(C(F)(F)F)c(F)c3)CC2)NC(c2ccccc2)N1
InChIInChI=1S/C21H19F4N3O2/c22-15-10-13(6-7-14(15)21(23,24)25)20(8-9-20)28-19(30)16-11-17(29)27-18(26-16)12-4-2-1-3-5-12/h1-7,10,16,18,26H,8-9,11H2,(H,27,29)(H,28,30)
InChIKeyQBAUWUFDPTWUNG-UHFFFAOYSA-N
MW421.39 g/mol
LogP3.13
Rot. Bonds4

About N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide

N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide (PubChem CID 139268076) has the molecular formula C21H19F4N3O2 and a molecular weight of 421.39 g/mol. Its IUPAC name is N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
PubChem CID139268076
Molecular FormulaC21H19F4N3O2
Molecular Weight421.39 g/mol
Exact Mass421.14
IUPAC NameN-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
SMILESO=C1CC(C(=O)NC2(c3ccc(C(F)(F)F)c(F)c3)CC2)NC(c2ccccc2)N1
InChIInChI=1S/C21H19F4N3O2/c22-15-10-13(6-7-14(15)21(23,24)25)20(8-9-20)28-19(30)16-11-17(29)27-18(26-16)12-4-2-1-3-5-12/h1-7,10,16,18,26H,8-9,11H2,(H,27,29)(H,28,30)
InChIKeyQBAUWUFDPTWUNG-UHFFFAOYSA-N
XLogP3.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide with MolForge

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Related Compounds

US9815796, Example 262
CID 139268193
US9815796, Example 337
CID 139268261
US9815796, Example 435
CID 139268358
US10285989, Example 1
CID 145996093
US10285989, Example 26
CID 145996108
US10285989, Example 31
CID 145996112
US10285989, Example 37
CID 145996118
US10285989, Example 40
CID 145996121
US10285989, Example 41
CID 145996122
US10285989, Example 42
CID 145996123
US10285989, Example 43
CID 145996124
US10285989, Example 47
CID 145996128

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide (CID 139268076) is N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide is O=C1CC(C(=O)NC2(c3ccc(C(F)(F)F)c(F)c3)CC2)NC(c2ccccc2)N1.
What is the InChIKey of N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide?
The InChIKey is QBAUWUFDPTWUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O2/c22-15-10-13(6-7-14(15)21(23,24)25)20(8-9-20)28-19(30)16-11-17(29)27-18(26-16)12-4-2-1-3-5-12/h1-7,10,16,18,26H,8-9,11H2,(H,27,29)(H,28,30).
What are the key properties of N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide?
N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide has a molecular weight of 421.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).