N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide

C14H11ClFNO3 — CID 18759319

IUPACN-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccccc2O)c(Cl)cc1F
InChIInChI=1S/C14H11ClFNO3/c1-8(18)17-11-7-14(9(15)6-10(11)16)20-13-5-3-2-4-12(13)19/h2-7,19H,1H3,(H,17,18)
InChIKeyPTZIDSXSTIWRSH-UHFFFAOYSA-N
MW295.70 g/mol
LogP3.94
Rot. Bonds3

About N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide

N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide (PubChem CID 18759319) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide
PubChem CID18759319
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC NameN-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccccc2O)c(Cl)cc1F
InChIInChI=1S/C14H11ClFNO3/c1-8(18)17-11-7-14(9(15)6-10(11)16)20-13-5-3-2-4-12(13)19/h2-7,19H,1H3,(H,17,18)
InChIKeyPTZIDSXSTIWRSH-UHFFFAOYSA-N
XLogP3.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide?
The IUPAC name of N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide (CID 18759319) is N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide?
The canonical SMILES for N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide is CC(=O)Nc1cc(Oc2ccccc2O)c(Cl)cc1F.
What is the InChIKey of N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide?
The InChIKey is PTZIDSXSTIWRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-8(18)17-11-7-14(9(15)6-10(11)16)20-13-5-3-2-4-12(13)19/h2-7,19H,1H3,(H,17,18).
What are the key properties of N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide?
N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide has a molecular weight of 295.70 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide is sourced from PubChem (CID 18759319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).