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

C15H17ClF3N3O2 — CID 139267949

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)NC(C)c2ccc(C(F)(F)F)cc2Cl)N1
InChIInChI=1S/C15H17ClF3N3O2/c1-7(10-4-3-9(5-11(10)16)15(17,18)19)20-14(24)12-6-13(23)22-8(2)21-12/h3-5,7-8,12,21H,6H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyAABJRNMXKFGTNK-UHFFFAOYSA-N
MW363.77 g/mol
LogP2.36
Rot. Bonds3

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

N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139267949) has the molecular formula C15H17ClF3N3O2 and a molecular weight of 363.77 g/mol. Its IUPAC name is N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139267949
Molecular FormulaC15H17ClF3N3O2
Molecular Weight363.77 g/mol
Exact Mass363.10
IUPAC NameN-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)NC(C)c2ccc(C(F)(F)F)cc2Cl)N1
InChIInChI=1S/C15H17ClF3N3O2/c1-7(10-4-3-9(5-11(10)16)15(17,18)19)20-14(24)12-6-13(23)22-8(2)21-12/h3-5,7-8,12,21H,6H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyAABJRNMXKFGTNK-UHFFFAOYSA-N
XLogP2.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.77
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide (CID 139267949) is N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide is CC1NC(=O)CC(C(=O)NC(C)c2ccc(C(F)(F)F)cc2Cl)N1.
What is the InChIKey of N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is AABJRNMXKFGTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N3O2/c1-7(10-4-3-9(5-11(10)16)15(17,18)19)20-14(24)12-6-13(23)22-8(2)21-12/h3-5,7-8,12,21H,6H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 363.77 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139267949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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