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

C23H25F3N2O3 — CID 69007251

IUPAC4-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(C(=O)NC2CCCCC2)c2ccc(C(N)=O)cc2C(F)(F)F)cc1
InChIInChI=1S/C23H25F3N2O3/c1-31-17-10-7-14(8-11-17)20(22(30)28-16-5-3-2-4-6-16)18-12-9-15(21(27)29)13-19(18)23(24,25)26/h7-13,16,20H,2-6H2,1H3,(H2,27,29)(H,28,30)
InChIKeyLGJSXCJBBAEOPI-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.39
Rot. Bonds6

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

4-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 69007251) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 4-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID69007251
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name4-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(C(=O)NC2CCCCC2)c2ccc(C(N)=O)cc2C(F)(F)F)cc1
InChIInChI=1S/C23H25F3N2O3/c1-31-17-10-7-14(8-11-17)20(22(30)28-16-5-3-2-4-6-16)18-12-9-15(21(27)29)13-19(18)23(24,25)26/h7-13,16,20H,2-6H2,1H3,(H2,27,29)(H,28,30)
InChIKeyLGJSXCJBBAEOPI-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 1383884
CID 1383884
CID 155214091
CID 155214091
CID 23648302
CID 23648302
CID 11711595
CID 11711595
CID 71768304
CID 71768304
CID 746156
CID 746156
CID 3083797
CID 3083797
CID 3071639
CID 3071639
CID 710674
CID 710674
CID 71511803
CID 71511803
CID 71584823
CID 71584823
CID 10368531
CID 10368531

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 69007251) is 4-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide is COc1ccc(C(C(=O)NC2CCCCC2)c2ccc(C(N)=O)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is LGJSXCJBBAEOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c1-31-17-10-7-14(8-11-17)20(22(30)28-16-5-3-2-4-6-16)18-12-9-15(21(27)29)13-19(18)23(24,25)26/h7-13,16,20H,2-6H2,1H3,(H2,27,29)(H,28,30).
What are the key properties of 4-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
4-[2-(cyclohexylamino)-1-(4-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-(4-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69007251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).