N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide;2-N,6-dimethyl-1,3,5-triazine-2,4-diamine

C20H26ClF3N6O — CID 143790575

IUPACN-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide;2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(C)nc(N)n1.O=C(NCc1ccc(Cl)cc1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C15H17ClF3NO.C5H9N5/c16-12-7-6-11(13(8-12)15(17,18)19)9-20-14(21)10-4-2-1-3-5-10;1-3-8-4(6)10-5(7-2)9-3/h6-8,10H,1-5,9H2,(H,20,21);1-2H3,(H3,6,7,8,9,10)
InChIKeyJHZICMFYJTVREB-UHFFFAOYSA-N
MW458.92 g/mol
LogP4.36
Rot. Bonds4

About N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide;2-N,6-dimethyl-1,3,5-triazine-2,4-diamine

N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide;2-N,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 143790575) has the molecular formula C20H26ClF3N6O and a molecular weight of 458.92 g/mol. Its IUPAC name is N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide;2-N,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide;2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID143790575
Molecular FormulaC20H26ClF3N6O
Molecular Weight458.92 g/mol
Exact Mass458.18
IUPAC NameN-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide;2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(C)nc(N)n1.O=C(NCc1ccc(Cl)cc1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C15H17ClF3NO.C5H9N5/c16-12-7-6-11(13(8-12)15(17,18)19)9-20-14(21)10-4-2-1-3-5-10;1-3-8-4(6)10-5(7-2)9-3/h6-8,10H,1-5,9H2,(H,20,21);1-2H3,(H3,6,7,8,9,10)
InChIKeyJHZICMFYJTVREB-UHFFFAOYSA-N
XLogP4.36
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide;2-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide;2-N,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 143790575) is N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide;2-N,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide;2-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide;2-N,6-dimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(C)nc(N)n1.O=C(NCc1ccc(Cl)cc1C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide;2-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JHZICMFYJTVREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3NO.C5H9N5/c16-12-7-6-11(13(8-12)15(17,18)19)9-20-14(21)10-4-2-1-3-5-10;1-3-8-4(6)10-5(7-2)9-3/h6-8,10H,1-5,9H2,(H,20,21);1-2H3,(H3,6,7,8,9,10).
What are the key properties of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide;2-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide;2-N,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 458.92 g/mol, XLogP of 4.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide;2-N,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 143790575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).