2-phenylbenzamide;2,2,2-trifluoroacetic acid

C15H12F3NO3 — CID 67160180

IUPAC2-phenylbenzamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1ccccc1-c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H11NO.C2HF3O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;3-2(4,5)1(6)7/h1-9H,(H2,14,15);(H,6,7)
InChIKeyIPOCFJLFSWNDDB-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.09
Rot. Bonds2

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

2-phenylbenzamide;2,2,2-trifluoroacetic acid (PubChem CID 67160180) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-phenylbenzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-phenylbenzamide;2,2,2-trifluoroacetic acid
PubChem CID67160180
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name2-phenylbenzamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1ccccc1-c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H11NO.C2HF3O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;3-2(4,5)1(6)7/h1-9H,(H2,14,15);(H,6,7)
InChIKeyIPOCFJLFSWNDDB-UHFFFAOYSA-N
XLogP3.09
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methoxybenzamide;2,2,2-trifluoroacetic acid
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4-(2-carbamoylphenyl)-2-fluorobenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-phenylbenzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-phenylbenzamide;2,2,2-trifluoroacetic acid (CID 67160180) is 2-phenylbenzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-phenylbenzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-phenylbenzamide;2,2,2-trifluoroacetic acid is NC(=O)c1ccccc1-c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-phenylbenzamide;2,2,2-trifluoroacetic acid?
The InChIKey is IPOCFJLFSWNDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO.C2HF3O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;3-2(4,5)1(6)7/h1-9H,(H2,14,15);(H,6,7).
What are the key properties of 2-phenylbenzamide;2,2,2-trifluoroacetic acid?
2-phenylbenzamide;2,2,2-trifluoroacetic acid has a molecular weight of 311.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbenzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67160180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).