N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide

C20H20F3NO2 — CID 27448775

IUPACN-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)17-8-4-5-15(13-17)18(25)24-14-19(9-11-26-12-10-19)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H,24,25)
InChIKeyGUUFKXNVQLOZLR-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.18
Rot. Bonds4

About N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide

N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 27448775) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID27448775
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC NameN-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)17-8-4-5-15(13-17)18(25)24-14-19(9-11-26-12-10-19)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H,24,25)
InChIKeyGUUFKXNVQLOZLR-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide (CID 27448775) is N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide is O=C(NCC1(c2ccccc2)CCOCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is GUUFKXNVQLOZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c21-20(22,23)17-8-4-5-15(13-17)18(25)24-14-19(9-11-26-12-10-19)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H,24,25).
What are the key properties of N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide?
N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 363.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 27448775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).