N-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide

C19H20F3NO2 — CID 71810741

IUPACN-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide
SMILESCCC(CNC(=O)c1cccc(C(F)(F)F)c1)(OC)c1ccccc1
InChIInChI=1S/C19H20F3NO2/c1-3-18(25-2,15-9-5-4-6-10-15)13-23-17(24)14-8-7-11-16(12-14)19(20,21)22/h4-12H,3,13H2,1-2H3,(H,23,24)
InChIKeyVIIMMQUSZLJWFT-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.39
Rot. Bonds6

About N-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide

N-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide (PubChem CID 71810741) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide
PubChem CID71810741
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC NameN-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide
SMILESCCC(CNC(=O)c1cccc(C(F)(F)F)c1)(OC)c1ccccc1
InChIInChI=1S/C19H20F3NO2/c1-3-18(25-2,15-9-5-4-6-10-15)13-23-17(24)14-8-7-11-16(12-14)19(20,21)22/h4-12H,3,13H2,1-2H3,(H,23,24)
InChIKeyVIIMMQUSZLJWFT-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide (CID 71810741) is N-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide is CCC(CNC(=O)c1cccc(C(F)(F)F)c1)(OC)c1ccccc1.
What is the InChIKey of N-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide?
The InChIKey is VIIMMQUSZLJWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-3-18(25-2,15-9-5-4-6-10-15)13-23-17(24)14-8-7-11-16(12-14)19(20,21)22/h4-12H,3,13H2,1-2H3,(H,23,24).
What are the key properties of N-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide?
N-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide has a molecular weight of 351.37 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-phenylbutyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 71810741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).