4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide

C23H25F3N2O3 — CID 69003956

IUPAC4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cccc(C(C(=O)NC2CCCCC2)c2ccc(C(N)=O)cc2C(F)(F)F)c1
InChIInChI=1S/C23H25F3N2O3/c1-31-17-9-5-6-14(12-17)20(22(30)28-16-7-3-2-4-8-16)18-11-10-15(21(27)29)13-19(18)23(24,25)26/h5-6,9-13,16,20H,2-4,7-8H2,1H3,(H2,27,29)(H,28,30)
InChIKeyNJDHKLHSINXOSY-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.39
Rot. Bonds6

About 4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide

4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 69003956) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID69003956
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cccc(C(C(=O)NC2CCCCC2)c2ccc(C(N)=O)cc2C(F)(F)F)c1
InChIInChI=1S/C23H25F3N2O3/c1-31-17-9-5-6-14(12-17)20(22(30)28-16-7-3-2-4-8-16)18-11-10-15(21(27)29)13-19(18)23(24,25)26/h5-6,9-13,16,20H,2-4,7-8H2,1H3,(H2,27,29)(H,28,30)
InChIKeyNJDHKLHSINXOSY-UHFFFAOYSA-N
XLogP4.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide
CID 87651258
4-[2-(cyclohexylamino)-1-(4-methylsulfanylphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 69005036
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
N-cyclooctyl-2-(3-methoxyphenoxy)butanamide
CID 46769347
ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate
CID 60998192
2-[2-(cycloheptylamino)-2-oxo-1-phenylethyl]benzamide
CID 68907898
4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide
CID 112515974
N-(cyclohexylcarbamoyl)-4-methoxy-2-(trifluoromethyl)benzamide
CID 143825373
1-[(1R)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 164736210
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103600833
N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168553

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 69003956) is 4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide is COc1cccc(C(C(=O)NC2CCCCC2)c2ccc(C(N)=O)cc2C(F)(F)F)c1.
What is the InChIKey of 4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NJDHKLHSINXOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c1-31-17-9-5-6-14(12-17)20(22(30)28-16-7-3-2-4-8-16)18-11-10-15(21(27)29)13-19(18)23(24,25)26/h5-6,9-13,16,20H,2-4,7-8H2,1H3,(H2,27,29)(H,28,30).
What are the key properties of 4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 434.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69003956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).