3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide

C21H22F3NO3 — CID 137362887

IUPAC3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(OC3CCCC3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C21H22F3NO3/c1-27-17-10-9-15(19(12-17)21(22,23)24)13-25-20(26)14-5-4-8-18(11-14)28-16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7,13H2,1H3,(H,25,26)
InChIKeyWQAHQNQDKKMSNR-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.97
Rot. Bonds6

About 3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide

3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 137362887) has the molecular formula C21H22F3NO3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID137362887
Molecular FormulaC21H22F3NO3
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC Name3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(OC3CCCC3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C21H22F3NO3/c1-27-17-10-9-15(19(12-17)21(22,23)24)13-25-20(26)14-5-4-8-18(11-14)28-16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7,13H2,1H3,(H,25,26)
InChIKeyWQAHQNQDKKMSNR-UHFFFAOYSA-N
XLogP4.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide (CID 137362887) is 3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide is COc1ccc(CNC(=O)c2cccc(OC3CCCC3)c2)c(C(F)(F)F)c1.
What is the InChIKey of 3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is WQAHQNQDKKMSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO3/c1-27-17-10-9-15(19(12-17)21(22,23)24)13-25-20(26)14-5-4-8-18(11-14)28-16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7,13H2,1H3,(H,25,26).
What are the key properties of 3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide?
3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 393.41 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 137362887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).