N-cyclohexyl-N-[[4-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide

C24H24F4N4O2 — CID 69086627

IUPACN-cyclohexyl-N-[[4-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1cnc(C(=O)N(Cc2ccc(F)c(-c3ccc(OC(F)(F)F)cc3)c2)C2CCCCC2)n1
InChIInChI=1S/C24H24F4N4O2/c1-31-15-29-22(30-31)23(33)32(18-5-3-2-4-6-18)14-16-7-12-21(25)20(13-16)17-8-10-19(11-9-17)34-24(26,27)28/h7-13,15,18H,2-6,14H2,1H3
InChIKeyMUMFTRAEVOQUEP-UHFFFAOYSA-N
MW476.47 g/mol
LogP5.49
Rot. Bonds6

About N-cyclohexyl-N-[[4-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide

N-cyclohexyl-N-[[4-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 69086627) has the molecular formula C24H24F4N4O2 and a molecular weight of 476.47 g/mol. Its IUPAC name is N-cyclohexyl-N-[[4-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[[4-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide
PubChem CID69086627
Molecular FormulaC24H24F4N4O2
Molecular Weight476.47 g/mol
Exact Mass476.18
IUPAC NameN-cyclohexyl-N-[[4-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1cnc(C(=O)N(Cc2ccc(F)c(-c3ccc(OC(F)(F)F)cc3)c2)C2CCCCC2)n1
InChIInChI=1S/C24H24F4N4O2/c1-31-15-29-22(30-31)23(33)32(18-5-3-2-4-6-18)14-16-7-12-21(25)20(13-16)17-8-10-19(11-9-17)34-24(26,27)28/h7-13,15,18H,2-6,14H2,1H3
InChIKeyMUMFTRAEVOQUEP-UHFFFAOYSA-N
XLogP5.49
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.47
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[[4-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-[[4-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide (CID 69086627) is N-cyclohexyl-N-[[4-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-[[4-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-[[4-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide is Cn1cnc(C(=O)N(Cc2ccc(F)c(-c3ccc(OC(F)(F)F)cc3)c2)C2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-N-[[4-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is MUMFTRAEVOQUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O2/c1-31-15-29-22(30-31)23(33)32(18-5-3-2-4-6-18)14-16-7-12-21(25)20(13-16)17-8-10-19(11-9-17)34-24(26,27)28/h7-13,15,18H,2-6,14H2,1H3.
What are the key properties of N-cyclohexyl-N-[[4-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide?
N-cyclohexyl-N-[[4-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 476.47 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[[4-fluoro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 69086627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).