N-(1-methoxy-1-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide

C18H18F3NO2 — CID 70989861

IUPACN-(1-methoxy-1-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
SMILESCOC(c1ccccc1)C(C)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c1-12(16(24-2)13-6-4-3-5-7-13)22-17(23)14-8-10-15(11-9-14)18(19,20)21/h3-12,16H,1-2H3,(H,22,23)
InChIKeyXVQPJTGLBXIMHX-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.21
Rot. Bonds5

About N-(1-methoxy-1-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide

N-(1-methoxy-1-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 70989861) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(1-methoxy-1-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-methoxy-1-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID70989861
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-(1-methoxy-1-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
SMILESCOC(c1ccccc1)C(C)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c1-12(16(24-2)13-6-4-3-5-7-13)22-17(23)14-8-10-15(11-9-14)18(19,20)21/h3-12,16H,1-2H3,(H,22,23)
InChIKeyXVQPJTGLBXIMHX-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-1-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-methoxy-1-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide (CID 70989861) is N-(1-methoxy-1-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-methoxy-1-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-methoxy-1-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide is COC(c1ccccc1)C(C)NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-methoxy-1-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is XVQPJTGLBXIMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-12(16(24-2)13-6-4-3-5-7-13)22-17(23)14-8-10-15(11-9-14)18(19,20)21/h3-12,16H,1-2H3,(H,22,23).
What are the key properties of N-(1-methoxy-1-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide?
N-(1-methoxy-1-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 337.34 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-1-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 70989861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).