2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide

C32H28F3NO3 — CID 42633596

IUPAC2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide
SMILESCC(C(=O)NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C32H28F3NO3/c1-22(25-13-8-14-26(21-25)30(37)24-11-6-3-7-12-24)31(38)36-20-19-29(23-9-4-2-5-10-23)39-28-17-15-27(16-18-28)32(33,34)35/h2-18,21-22,29H,19-20H2,1H3,(H,36,38)
InChIKeyPVKAEMZTJISIHD-UHFFFAOYSA-N
MW531.57 g/mol
LogP7.37
Rot. Bonds10

About 2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide

2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide (PubChem CID 42633596) has the molecular formula C32H28F3NO3 and a molecular weight of 531.57 g/mol. Its IUPAC name is 2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide.

Molecular Properties

Compound Name2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide
PubChem CID42633596
Molecular FormulaC32H28F3NO3
Molecular Weight531.57 g/mol
Exact Mass531.20
IUPAC Name2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide
SMILESCC(C(=O)NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C32H28F3NO3/c1-22(25-13-8-14-26(21-25)30(37)24-11-6-3-7-12-24)31(38)36-20-19-29(23-9-4-2-5-10-23)39-28-17-15-27(16-18-28)32(33,34)35/h2-18,21-22,29H,19-20H2,1H3,(H,36,38)
InChIKeyPVKAEMZTJISIHD-UHFFFAOYSA-N
XLogP7.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.57
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-deuterio-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 138402735
(Z)-but-2-enedioic acid;N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 11281720
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
(2S)-2-amino-4-[2-(3-benzoylphenyl)propanoylamino]butanoic acid
CID 155451997
3-[[(2R)-2-(3-benzoylphenyl)propanoyl]amino]propyl-dimethyl-propan-2-ylazanium
CID 10229205
N-chloro-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 54285023
N-hydroxy-3-[[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]propanamide
CID 175586540
methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium
CID 15940193
N-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide
CID 171777098
2-[methyl-[3-phenyl-3-[3-[3-(trifluoromethyl)benzoyl]phenoxy]propyl]amino]acetic acid
CID 18677910
(3S)-3-(4-fluorophenyl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;oxalic acid
CID 25016764
N-methyl-3-[4-(trifluoromethyl)phenoxy]-3-(3-tritiophenyl)propan-1-amine
CID 11758740

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide?
The IUPAC name of 2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide (CID 42633596) is 2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide.
What is the SMILES notation for 2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide?
The canonical SMILES for 2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide is CC(C(=O)NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide?
The InChIKey is PVKAEMZTJISIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F3NO3/c1-22(25-13-8-14-26(21-25)30(37)24-11-6-3-7-12-24)31(38)36-20-19-29(23-9-4-2-5-10-23)39-28-17-15-27(16-18-28)32(33,34)35/h2-18,21-22,29H,19-20H2,1H3,(H,36,38).
What are the key properties of 2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide?
2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide has a molecular weight of 531.57 g/mol, XLogP of 7.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide is sourced from PubChem (CID 42633596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).