2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide

C19H15F7N2O2 — CID 177391846

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide
SMILESO=C(CCc1ccccc1)Nc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H15F7N2O2/c20-17(21,18(22,23)19(24,25)26)16(30)28-14-9-5-4-8-13(14)27-15(29)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,27,29)(H,28,30)
InChIKeyORXFBLJODDXYIA-UHFFFAOYSA-N
MW436.33 g/mol
LogP5.03
Rot. Bonds7

About 2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide (PubChem CID 177391846) has the molecular formula C19H15F7N2O2 and a molecular weight of 436.33 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide
PubChem CID177391846
Molecular FormulaC19H15F7N2O2
Molecular Weight436.33 g/mol
Exact Mass436.10
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide
SMILESO=C(CCc1ccccc1)Nc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H15F7N2O2/c20-17(21,18(22,23)19(24,25)26)16(30)28-14-9-5-4-8-13(14)27-15(29)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,27,29)(H,28,30)
InChIKeyORXFBLJODDXYIA-UHFFFAOYSA-N
XLogP5.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.33
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide 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

2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide
CID 4077005
3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 108933554
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-hydroxyphenyl)heptanamide
CID 4292897
3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid
CID 60826360
N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide
CID 59836533
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(1R,2R)-2-(3-phenylpropanoylamino)cyclohexyl]heptanamide
CID 177429698
2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
CID 10334118
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide
CID 3121130
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenyl]propanamide
CID 18941460
N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
CID 38300101

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide (CID 177391846) is 2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide is O=C(CCc1ccccc1)Nc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide?
The InChIKey is ORXFBLJODDXYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F7N2O2/c20-17(21,18(22,23)19(24,25)26)16(30)28-14-9-5-4-8-13(14)27-15(29)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,27,29)(H,28,30).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide has a molecular weight of 436.33 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide is sourced from PubChem (CID 177391846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).