2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide

C24H25F6N3O2 — CID 1132545

IUPAC2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H25F6N3O2/c25-23(26,27)16-6-4-8-18(12-16)31-21(34)14-33(20-10-2-1-3-11-20)15-22(35)32-19-9-5-7-17(13-19)24(28,29)30/h4-9,12-13,20H,1-3,10-11,14-15H2,(H,31,34)(H,32,35)
InChIKeyXDAULGDBDBEGBM-UHFFFAOYSA-N
MW501.47 g/mol
LogP5.94
Rot. Bonds7

About 2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1132545) has the molecular formula C24H25F6N3O2 and a molecular weight of 501.47 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1132545
Molecular FormulaC24H25F6N3O2
Molecular Weight501.47 g/mol
Exact Mass501.19
IUPAC Name2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H25F6N3O2/c25-23(26,27)16-6-4-8-18(12-16)31-21(34)14-33(20-10-2-1-3-11-20)15-22(35)32-19-9-5-7-17(13-19)24(28,29)30/h4-9,12-13,20H,1-3,10-11,14-15H2,(H,31,34)(H,32,35)
InChIKeyXDAULGDBDBEGBM-UHFFFAOYSA-N
XLogP5.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.47
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16577679
2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113148963
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
2-(azepan-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8895949
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
CID 89006052
CID 89006052
1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132496
2-(4-cyclopentylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 34421603
1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42697656

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1132545) is 2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN(CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XDAULGDBDBEGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F6N3O2/c25-23(26,27)16-6-4-8-18(12-16)31-21(34)14-33(20-10-2-1-3-11-20)15-22(35)32-19-9-5-7-17(13-19)24(28,29)30/h4-9,12-13,20H,1-3,10-11,14-15H2,(H,31,34)(H,32,35).
What are the key properties of 2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 501.47 g/mol, XLogP of 5.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1132545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).