N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide

C18H16F6N2O3 — CID 20822521

IUPACN-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide
SMILESCNc1cc(C(c2ccc(O)c(NC(C)=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O
InChIInChI=1S/C18H16F6N2O3/c1-9(27)26-13-8-11(4-6-15(13)29)16(17(19,20)21,18(22,23)24)10-3-5-14(28)12(7-10)25-2/h3-8,25,28-29H,1-2H3,(H,26,27)
InChIKeyPKJOUCXJOYBSCB-UHFFFAOYSA-N
MW422.33 g/mol
LogP4.51
Rot. Bonds4

About N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide

N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide (PubChem CID 20822521) has the molecular formula C18H16F6N2O3 and a molecular weight of 422.33 g/mol. Its IUPAC name is N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide
PubChem CID20822521
Molecular FormulaC18H16F6N2O3
Molecular Weight422.33 g/mol
Exact Mass422.11
IUPAC NameN-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide
SMILESCNc1cc(C(c2ccc(O)c(NC(C)=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O
InChIInChI=1S/C18H16F6N2O3/c1-9(27)26-13-8-11(4-6-15(13)29)16(17(19,20)21,18(22,23)24)10-3-5-14(28)12(7-10)25-2/h3-8,25,28-29H,1-2H3,(H,26,27)
InChIKeyPKJOUCXJOYBSCB-UHFFFAOYSA-N
XLogP4.51
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide?
The IUPAC name of N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide (CID 20822521) is N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide?
The canonical SMILES for N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide is CNc1cc(C(c2ccc(O)c(NC(C)=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O.
What is the InChIKey of N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide?
The InChIKey is PKJOUCXJOYBSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N2O3/c1-9(27)26-13-8-11(4-6-15(13)29)16(17(19,20)21,18(22,23)24)10-3-5-14(28)12(7-10)25-2/h3-8,25,28-29H,1-2H3,(H,26,27).
What are the key properties of N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide?
N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide has a molecular weight of 422.33 g/mol, XLogP of 4.51, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]acetamide is sourced from PubChem (CID 20822521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).