4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide

C18H16F3NO3 — CID 55654482

IUPAC4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C18H16F3NO3/c19-18(20,21)12-25-15-8-4-7-14(11-15)22-17(24)10-9-16(23)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,22,24)
InChIKeyNQZCGDXOSHYNRK-UHFFFAOYSA-N
MW351.32 g/mol
LogP4.23
Rot. Bonds7

About 4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide

4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide (PubChem CID 55654482) has the molecular formula C18H16F3NO3 and a molecular weight of 351.32 g/mol. Its IUPAC name is 4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide
PubChem CID55654482
Molecular FormulaC18H16F3NO3
Molecular Weight351.32 g/mol
Exact Mass351.11
IUPAC Name4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C18H16F3NO3/c19-18(20,21)12-25-15-8-4-7-14(11-15)22-17(24)10-9-16(23)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,22,24)
InChIKeyNQZCGDXOSHYNRK-UHFFFAOYSA-N
XLogP4.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120560452
3-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108795529
3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 52583631
4-oxo-N,4-diphenylbutanamide
CID 825307
N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
CID 17418766
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 47237417
(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119291435
1-[[3-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 146134415
N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87027979
3-(2,2,2-trifluoroethoxy)benzoyl chloride
CID 95928099
3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 112822716

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The IUPAC name of 4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide (CID 55654482) is 4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide.
What is the SMILES notation for 4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The canonical SMILES for 4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide is O=C(CCC(=O)c1ccccc1)Nc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of 4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The InChIKey is NQZCGDXOSHYNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO3/c19-18(20,21)12-25-15-8-4-7-14(11-15)22-17(24)10-9-16(23)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,22,24).
What are the key properties of 4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide?
4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide has a molecular weight of 351.32 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide is sourced from PubChem (CID 55654482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).