3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide

C16H10F7NO — CID 130474104

IUPAC3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C16H10F7NO/c17-11-10(16(21,22)23)12(18)14(20)15(13(11)19)24-9(25)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,24,25)
InChIKeyFJQNVFBTLYFYSH-UHFFFAOYSA-N
MW365.25 g/mol
LogP4.83
Rot. Bonds4

About 3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide

3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide (PubChem CID 130474104) has the molecular formula C16H10F7NO and a molecular weight of 365.25 g/mol. Its IUPAC name is 3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
PubChem CID130474104
Molecular FormulaC16H10F7NO
Molecular Weight365.25 g/mol
Exact Mass365.07
IUPAC Name3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C16H10F7NO/c17-11-10(16(21,22)23)12(18)14(20)15(13(11)19)24-9(25)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,24,25)
InChIKeyFJQNVFBTLYFYSH-UHFFFAOYSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide 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

N-(6-fluoro-2-pyridinyl)-3-phenylpropanamide
CID 104820903
N-[4-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]-2-phenylacetamide
CID 23101565
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide
CID 113051558
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide
CID 177391846
N-(6-chloropyrazin-2-yl)-3-phenylpropanamide
CID 115599331
1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009039
N-[2-(aminomethyl)pyrimidin-5-yl]-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 167830705
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide (CID 130474104) is 3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccccc1)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of 3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FJQNVFBTLYFYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F7NO/c17-11-10(16(21,22)23)12(18)14(20)15(13(11)19)24-9(25)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,24,25).
What are the key properties of 3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide?
3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 365.25 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 130474104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).