N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide

C47H47F6N5O5 — CID 158350384

IUPACN-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H25F3N2O3.C23H22F3N3O2/c25-24(26,27)23(32)28-15-21(30)18-13-11-17(12-14-18)16-29(20-9-5-2-6-10-20)22(31)19-7-3-1-4-8-19;24-23(25,26)22-28-27-20(31-22)17-13-11-16(12-14-17)15-29(19-9-5-2-6-10-19)21(30)18-7-3-1-4-8-18/h2,5-6,9-14,19H,1,3-4,7-8,15-16H2,(H,28,32);2,5-6,9-14,18H,1,3-4,7-8,15H2
InChIKeyGSFXBZFEDBUNCS-UHFFFAOYSA-N
MW875.91 g/mol
LogP10.53
Rot. Bonds12

About N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide

N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide (PubChem CID 158350384) has the molecular formula C47H47F6N5O5 and a molecular weight of 875.91 g/mol. Its IUPAC name is N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide
PubChem CID158350384
Molecular FormulaC47H47F6N5O5
Molecular Weight875.91 g/mol
Exact Mass875.35
IUPAC NameN-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H25F3N2O3.C23H22F3N3O2/c25-24(26,27)23(32)28-15-21(30)18-13-11-17(12-14-18)16-29(20-9-5-2-6-10-20)22(31)19-7-3-1-4-8-19;24-23(25,26)22-28-27-20(31-22)17-13-11-16(12-14-17)15-29(19-9-5-2-6-10-19)21(30)18-7-3-1-4-8-18/h2,5-6,9-14,19H,1,3-4,7-8,15-16H2,(H,28,32);2,5-6,9-14,18H,1,3-4,7-8,15H2
InChIKeyGSFXBZFEDBUNCS-UHFFFAOYSA-N
XLogP10.53
TPSA125.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.91
LogP ≤ 510.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide with MolForge

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Related Compounds

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N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide
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CID 169107019

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide (CID 158350384) is N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide is O=C(C1CCCCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)C2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide?
The InChIKey is GSFXBZFEDBUNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O3.C23H22F3N3O2/c25-24(26,27)23(32)28-15-21(30)18-13-11-17(12-14-18)16-29(20-9-5-2-6-10-20)22(31)19-7-3-1-4-8-19;24-23(25,26)22-28-27-20(31-22)17-13-11-16(12-14-17)15-29(19-9-5-2-6-10-19)21(30)18-7-3-1-4-8-18/h2,5-6,9-14,19H,1,3-4,7-8,15-16H2,(H,28,32);2,5-6,9-14,18H,1,3-4,7-8,15H2.
What are the key properties of N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide?
N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide has a molecular weight of 875.91 g/mol, XLogP of 10.53, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]cyclohexanecarboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 158350384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).