3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide

C27H26F2N2O4 — CID 67338306

IUPAC3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(F)c(O)c1F)Nc1ccccc1COc1cccc(OC2CCNCC2)c1
InChIInChI=1S/C27H26F2N2O4/c28-23-10-8-18(26(29)27(23)33)9-11-25(32)31-24-7-2-1-4-19(24)17-34-21-5-3-6-22(16-21)35-20-12-14-30-15-13-20/h1-11,16,20,30,33H,12-15,17H2,(H,31,32)
InChIKeyWBCOAFXNJNQWPX-UHFFFAOYSA-N
MW480.51 g/mol
LogP5.03
Rot. Bonds8

About 3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide

3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide (PubChem CID 67338306) has the molecular formula C27H26F2N2O4 and a molecular weight of 480.51 g/mol. Its IUPAC name is 3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide
PubChem CID67338306
Molecular FormulaC27H26F2N2O4
Molecular Weight480.51 g/mol
Exact Mass480.19
IUPAC Name3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(F)c(O)c1F)Nc1ccccc1COc1cccc(OC2CCNCC2)c1
InChIInChI=1S/C27H26F2N2O4/c28-23-10-8-18(26(29)27(23)33)9-11-25(32)31-24-7-2-1-4-19(24)17-34-21-5-3-6-22(16-21)35-20-12-14-30-15-13-20/h1-11,16,20,30,33H,12-15,17H2,(H,31,32)
InChIKeyWBCOAFXNJNQWPX-UHFFFAOYSA-N
XLogP5.03
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.51
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide 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 3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide?
The IUPAC name of 3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide (CID 67338306) is 3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for 3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide?
The canonical SMILES for 3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide is O=C(C=Cc1ccc(F)c(O)c1F)Nc1ccccc1COc1cccc(OC2CCNCC2)c1.
What is the InChIKey of 3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide?
The InChIKey is WBCOAFXNJNQWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N2O4/c28-23-10-8-18(26(29)27(23)33)9-11-25(32)31-24-7-2-1-4-19(24)17-34-21-5-3-6-22(16-21)35-20-12-14-30-15-13-20/h1-11,16,20,30,33H,12-15,17H2,(H,31,32).
What are the key properties of 3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide?
3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide has a molecular weight of 480.51 g/mol, XLogP of 5.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-3-hydroxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 67338306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).