2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide

C19H18F3NO — CID 144740074

IUPAC2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
SMILESCc1ccccc1C(=O)N[C@H]1CC[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F3NO/c1-12-6-2-3-7-13(12)18(24)23-17-11-10-15(17)14-8-4-5-9-16(14)19(20,21)22/h2-9,15,17H,10-11H2,1H3,(H,23,24)/t15-,17-/m0/s1
InChIKeyJSJGLXBHIUXTNB-RDJZCZTQSA-N
MW333.35 g/mol
LogP4.69
Rot. Bonds3

About 2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide

2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide (PubChem CID 144740074) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
PubChem CID144740074
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
SMILESCc1ccccc1C(=O)N[C@H]1CC[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F3NO/c1-12-6-2-3-7-13(12)18(24)23-17-11-10-15(17)14-8-4-5-9-16(14)19(20,21)22/h2-9,15,17H,10-11H2,1H3,(H,23,24)/t15-,17-/m0/s1
InChIKeyJSJGLXBHIUXTNB-RDJZCZTQSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide?
The IUPAC name of 2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide (CID 144740074) is 2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide is Cc1ccccc1C(=O)N[C@H]1CC[C@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide?
The InChIKey is JSJGLXBHIUXTNB-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H18F3NO/c1-12-6-2-3-7-13(12)18(24)23-17-11-10-15(17)14-8-4-5-9-16(14)19(20,21)22/h2-9,15,17H,10-11H2,1H3,(H,23,24)/t15-,17-/m0/s1.
What are the key properties of 2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide?
2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide has a molecular weight of 333.35 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide is sourced from PubChem (CID 144740074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).