N-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide

C20H18F3NO3 — CID 162401641

IUPACN-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(=O)N(CC(F)(F)F)C(=O)C(C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H18F3NO3/c1-13(19(27)24(14(2)25)12-20(21,22)23)16-9-6-10-17(11-16)18(26)15-7-4-3-5-8-15/h3-11,13H,12H2,1-2H3
InChIKeyQYOMVQJWOXRDBC-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.96
Rot. Bonds5

About N-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide

N-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 162401641) has the molecular formula C20H18F3NO3 and a molecular weight of 377.36 g/mol. Its IUPAC name is N-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID162401641
Molecular FormulaC20H18F3NO3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC NameN-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(=O)N(CC(F)(F)F)C(=O)C(C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H18F3NO3/c1-13(19(27)24(14(2)25)12-20(21,22)23)16-9-6-10-17(11-16)18(26)15-7-4-3-5-8-15/h3-11,13H,12H2,1-2H3
InChIKeyQYOMVQJWOXRDBC-UHFFFAOYSA-N
XLogP3.96
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 162401641) is N-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(=O)N(CC(F)(F)F)C(=O)C(C)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of N-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is QYOMVQJWOXRDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO3/c1-13(19(27)24(14(2)25)12-20(21,22)23)16-9-6-10-17(11-16)18(26)15-7-4-3-5-8-15/h3-11,13H,12H2,1-2H3.
What are the key properties of N-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
N-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 377.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-(3-benzoylphenyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 162401641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).