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

C19H17ClF3N3O2 — CID 139268112

IUPACN-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccc(C(F)(F)F)cc2Cl)NC(c2ccccc2)N1
InChIInChI=1S/C19H17ClF3N3O2/c20-14-8-13(19(21,22)23)7-6-12(14)10-24-18(28)15-9-16(27)26-17(25-15)11-4-2-1-3-5-11/h1-8,15,17,25H,9-10H2,(H,24,28)(H,26,27)
InChIKeyZGQOENVLMXQGMS-UHFFFAOYSA-N
MW411.81 g/mol
LogP3.15
Rot. Bonds4

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

N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide (PubChem CID 139268112) has the molecular formula C19H17ClF3N3O2 and a molecular weight of 411.81 g/mol. Its IUPAC name is N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
PubChem CID139268112
Molecular FormulaC19H17ClF3N3O2
Molecular Weight411.81 g/mol
Exact Mass411.10
IUPAC NameN-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccc(C(F)(F)F)cc2Cl)NC(c2ccccc2)N1
InChIInChI=1S/C19H17ClF3N3O2/c20-14-8-13(19(21,22)23)7-6-12(14)10-24-18(28)15-9-16(27)26-17(25-15)11-4-2-1-3-5-11/h1-8,15,17,25H,9-10H2,(H,24,28)(H,26,27)
InChIKeyZGQOENVLMXQGMS-UHFFFAOYSA-N
XLogP3.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.81
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide (CID 139268112) is N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide is O=C1CC(C(=O)NCc2ccc(C(F)(F)F)cc2Cl)NC(c2ccccc2)N1.
What is the InChIKey of N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide?
The InChIKey is ZGQOENVLMXQGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2/c20-14-8-13(19(21,22)23)7-6-12(14)10-24-18(28)15-9-16(27)26-17(25-15)11-4-2-1-3-5-11/h1-8,15,17,25H,9-10H2,(H,24,28)(H,26,27).
What are the key properties of N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide?
N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide has a molecular weight of 411.81 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).