N-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide

C20H22F3NO3 — CID 69471861

IUPACN-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide
SMILESCOCCCC(C(F)(F)F)C(O)(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22F3NO3/c1-27-14-8-13-17(20(21,22)23)19(26,16-11-6-3-7-12-16)24-18(25)15-9-4-2-5-10-15/h2-7,9-12,17,26H,8,13-14H2,1H3,(H,24,25)
InChIKeyDQHDDLBKMDUCSO-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.87
Rot. Bonds8

About N-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide

N-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide (PubChem CID 69471861) has the molecular formula C20H22F3NO3 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide.

Molecular Properties

Compound NameN-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide
PubChem CID69471861
Molecular FormulaC20H22F3NO3
Molecular Weight381.39 g/mol
Exact Mass381.16
IUPAC NameN-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide
SMILESCOCCCC(C(F)(F)F)C(O)(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22F3NO3/c1-27-14-8-13-17(20(21,22)23)19(26,16-11-6-3-7-12-16)24-18(25)15-9-4-2-5-10-15/h2-7,9-12,17,26H,8,13-14H2,1H3,(H,24,25)
InChIKeyDQHDDLBKMDUCSO-UHFFFAOYSA-N
XLogP3.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide?
The IUPAC name of N-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide (CID 69471861) is N-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide.
What is the SMILES notation for N-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide?
The canonical SMILES for N-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide is COCCCC(C(F)(F)F)C(O)(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide?
The InChIKey is DQHDDLBKMDUCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO3/c1-27-14-8-13-17(20(21,22)23)19(26,16-11-6-3-7-12-16)24-18(25)15-9-4-2-5-10-15/h2-7,9-12,17,26H,8,13-14H2,1H3,(H,24,25).
What are the key properties of N-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide?
N-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide has a molecular weight of 381.39 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-5-methoxy-1-phenyl-2-(trifluoromethyl)pentyl]benzamide is sourced from PubChem (CID 69471861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).