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

C23H25F3N2O3 — CID 69000569

IUPACN-[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccccc1C(NC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C23H25F3N2O3/c1-31-19-13-6-5-12-18(19)20(22(30)27-17-10-3-2-4-11-17)28-21(29)15-8-7-9-16(14-15)23(24,25)26/h5-9,12-14,17,20H,2-4,10-11H2,1H3,(H,27,30)(H,28,29)
InChIKeyPGQZFGRJYRUWGT-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.63
Rot. Bonds6

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

N-[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 69000569) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID69000569
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC NameN-[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccccc1C(NC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C23H25F3N2O3/c1-31-19-13-6-5-12-18(19)20(22(30)27-17-10-3-2-4-11-17)28-21(29)15-8-7-9-16(14-15)23(24,25)26/h5-9,12-14,17,20H,2-4,10-11H2,1H3,(H,27,30)(H,28,29)
InChIKeyPGQZFGRJYRUWGT-UHFFFAOYSA-N
XLogP4.63
TPSA67.43 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 ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 69000569) is N-[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide is COc1ccccc1C(NC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PGQZFGRJYRUWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c1-31-19-13-6-5-12-18(19)20(22(30)27-17-10-3-2-4-11-17)28-21(29)15-8-7-9-16(14-15)23(24,25)26/h5-9,12-14,17,20H,2-4,10-11H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 434.46 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69000569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).