6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide

C20H20F3N3O3 — CID 139268345

IUPAC6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCC(NC(=O)C1CC(=O)NC(c2ccccc2)N1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H20F3N3O3/c1-12(14-8-5-9-15(10-14)29-20(21,22)23)24-19(28)16-11-17(27)26-18(25-16)13-6-3-2-4-7-13/h2-10,12,16,18,25H,11H2,1H3,(H,24,28)(H,26,27)
InChIKeyRNHDNFKHCOCFQG-UHFFFAOYSA-N
MW407.39 g/mol
LogP2.94
Rot. Bonds5

About 6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide

6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide (PubChem CID 139268345) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
PubChem CID139268345
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCC(NC(=O)C1CC(=O)NC(c2ccccc2)N1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H20F3N3O3/c1-12(14-8-5-9-15(10-14)29-20(21,22)23)24-19(28)16-11-17(27)26-18(25-16)13-6-3-2-4-7-13/h2-10,12,16,18,25H,11H2,1H3,(H,24,28)(H,26,27)
InChIKeyRNHDNFKHCOCFQG-UHFFFAOYSA-N
XLogP2.94
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
CID 139268346
N-[(1R)-1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
CID 139268473
2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139267941
2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268044
N-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268041
3-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 139022010
N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268005
N-[1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268014
N-[1-(3-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 75151271
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270
(3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide
CID 139428063
2-cyclopropyl-N-[(1R)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268162

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The IUPAC name of 6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide (CID 139268345) is 6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The canonical SMILES for 6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide is CC(NC(=O)C1CC(=O)NC(c2ccccc2)N1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The InChIKey is RNHDNFKHCOCFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-12(14-8-5-9-15(10-14)29-20(21,22)23)24-19(28)16-11-17(27)26-18(25-16)13-6-3-2-4-7-13/h2-10,12,16,18,25H,11H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide has a molecular weight of 407.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).