N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide

C22H18F2N2O3 — CID 166166783

IUPACN-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3ccc(NC(C)=O)c(F)c3)c2O)cc1F
InChIInChI=1S/C22H18F2N2O3/c1-12(27)25-20-8-6-14(10-18(20)23)16-4-3-5-17(22(16)29)15-7-9-21(19(24)11-15)26-13(2)28/h3-11,29H,1-2H3,(H,25,27)(H,26,28)
InChIKeyZQECDUGPLZJCKM-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.92
Rot. Bonds4

About N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide

N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide (PubChem CID 166166783) has the molecular formula C22H18F2N2O3 and a molecular weight of 396.39 g/mol. Its IUPAC name is N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
PubChem CID166166783
Molecular FormulaC22H18F2N2O3
Molecular Weight396.39 g/mol
Exact Mass396.13
IUPAC NameN-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3ccc(NC(C)=O)c(F)c3)c2O)cc1F
InChIInChI=1S/C22H18F2N2O3/c1-12(27)25-20-8-6-14(10-18(20)23)16-4-3-5-17(22(16)29)15-7-9-21(19(24)11-15)26-13(2)28/h3-11,29H,1-2H3,(H,25,27)(H,26,28)
InChIKeyZQECDUGPLZJCKM-UHFFFAOYSA-N
XLogP4.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide (CID 166166783) is N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3ccc(NC(C)=O)c(F)c3)c2O)cc1F.
What is the InChIKey of N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The InChIKey is ZQECDUGPLZJCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O3/c1-12(27)25-20-8-6-14(10-18(20)23)16-4-3-5-17(22(16)29)15-7-9-21(19(24)11-15)26-13(2)28/h3-11,29H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide has a molecular weight of 396.39 g/mol, XLogP of 4.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 166166783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).