N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C31H33F3N2O2 — CID 46052325

IUPACN-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1ccccc1C(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(CC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C31H33F3N2O2/c1-22-8-6-7-11-28(22)30(38)36(21-24-12-16-25(17-13-24)31(32,33)34)27-18-14-23(15-19-27)20-29(37)35(2)26-9-4-3-5-10-26/h6-8,11-19,26H,3-5,9-10,20-21H2,1-2H3
InChIKeyCJEYRFLVXLUSPE-UHFFFAOYSA-N
MW522.61 g/mol
LogP7.19
Rot. Bonds7

About N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 46052325) has the molecular formula C31H33F3N2O2 and a molecular weight of 522.61 g/mol. Its IUPAC name is N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID46052325
Molecular FormulaC31H33F3N2O2
Molecular Weight522.61 g/mol
Exact Mass522.25
IUPAC NameN-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1ccccc1C(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(CC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C31H33F3N2O2/c1-22-8-6-7-11-28(22)30(38)36(21-24-12-16-25(17-13-24)31(32,33)34)27-18-14-23(15-19-27)20-29(37)35(2)26-9-4-3-5-10-26/h6-8,11-19,26H,3-5,9-10,20-21H2,1-2H3
InChIKeyCJEYRFLVXLUSPE-UHFFFAOYSA-N
XLogP7.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 46052325) is N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is Cc1ccccc1C(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(CC(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is CJEYRFLVXLUSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F3N2O2/c1-22-8-6-7-11-28(22)30(38)36(21-24-12-16-25(17-13-24)31(32,33)34)27-18-14-23(15-19-27)20-29(37)35(2)26-9-4-3-5-10-26/h6-8,11-19,26H,3-5,9-10,20-21H2,1-2H3.
What are the key properties of N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 522.61 g/mol, XLogP of 7.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 46052325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).