4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide

C23H22F6N2O3 — CID 87651258

IUPAC4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(C(C(=O)NC2CCCCC2)c2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C23H22F6N2O3/c24-22(25,26)18-12-14(20(30)32)8-11-17(18)19(21(33)31-15-4-2-1-3-5-15)13-6-9-16(10-7-13)34-23(27,28)29/h6-12,15,19H,1-5H2,(H2,30,32)(H,31,33)
InChIKeyNTUXOIJIDHIFER-UHFFFAOYSA-N
MW488.43 g/mol
LogP5.28
Rot. Bonds6

About 4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide

4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 87651258) has the molecular formula C23H22F6N2O3 and a molecular weight of 488.43 g/mol. Its IUPAC name is 4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID87651258
Molecular FormulaC23H22F6N2O3
Molecular Weight488.43 g/mol
Exact Mass488.15
IUPAC Name4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(C(C(=O)NC2CCCCC2)c2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C23H22F6N2O3/c24-22(25,26)18-12-14(20(30)32)8-11-17(18)19(21(33)31-15-4-2-1-3-5-15)13-6-9-16(10-7-13)34-23(27,28)29/h6-12,15,19H,1-5H2,(H2,30,32)(H,31,33)
InChIKeyNTUXOIJIDHIFER-UHFFFAOYSA-N
XLogP5.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.43
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(cyclohexylamino)-1-(4-methylsulfanylphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 69005036
4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 69003956
4-[1-(3-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 69004829
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
[2-(cyclohexylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796501
4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide
CID 170999511
4-cycloheptyl-3-(trifluoromethyl)benzamide
CID 143924548
2-[2-(cycloheptylamino)-2-oxo-1-phenylethyl]benzamide
CID 68907898
cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone
CID 114962182
(2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 146197513
1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea
CID 163523295
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide (CID 87651258) is 4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide is NC(=O)c1ccc(C(C(=O)NC2CCCCC2)c2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NTUXOIJIDHIFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F6N2O3/c24-22(25,26)18-12-14(20(30)32)8-11-17(18)19(21(33)31-15-4-2-1-3-5-15)13-6-9-16(10-7-13)34-23(27,28)29/h6-12,15,19H,1-5H2,(H2,30,32)(H,31,33).
What are the key properties of 4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide?
4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 488.43 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 87651258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).