2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid

C16H14F3NO3 — CID 67159928

IUPAC2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid
SMILESCc1c(C(N)=O)cccc1-c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H13NO.C2HF3O2/c1-10-12(11-6-3-2-4-7-11)8-5-9-13(10)14(15)16;3-2(4,5)1(6)7/h2-9H,1H3,(H2,15,16);(H,6,7)
InChIKeyCFIURPRRMLTZML-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.39
Rot. Bonds2

About 2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid

2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid (PubChem CID 67159928) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid
PubChem CID67159928
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Name2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid
SMILESCc1c(C(N)=O)cccc1-c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H13NO.C2HF3O2/c1-10-12(11-6-3-2-4-7-11)8-5-9-13(10)14(15)16;3-2(4,5)1(6)7/h2-9H,1H3,(H2,15,16);(H,6,7)
InChIKeyCFIURPRRMLTZML-UHFFFAOYSA-N
XLogP3.39
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 67160180
3-(4-carbamoylphenyl)-2-methylbenzamide
CID 142234792
3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]phenyl]-2-methylbenzamide;2,2,2-trifluoroacetic acid
CID 123207173
bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone
CID 151132531
N-hydroxy-2-methyl-3-phenylbenzamide
CID 54333518
2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 69461429
benzoic acid;2-phenylbenzamide
CID 70205361
2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone
CID 146007388
2-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 69456154
2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one
CID 146007407
3-(4-chloro-3-fluorophenyl)-2-methylbenzamide
CID 67230127
2-methyl-3-[(2-phenylphenyl)sulfonylamino]benzamide
CID 39846336

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid (CID 67159928) is 2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid is Cc1c(C(N)=O)cccc1-c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid?
The InChIKey is CFIURPRRMLTZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO.C2HF3O2/c1-10-12(11-6-3-2-4-7-11)8-5-9-13(10)14(15)16;3-2(4,5)1(6)7/h2-9H,1H3,(H2,15,16);(H,6,7).
What are the key properties of 2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid?
2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid has a molecular weight of 325.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67159928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).