N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide

C14H11Cl2NO3 — CID 11674015

IUPACN-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1
InChIInChI=1S/C14H11Cl2NO3/c1-8(18)17-10-3-5-13(11(16)7-10)20-14-4-2-9(15)6-12(14)19/h2-7,19H,1H3,(H,17,18)
InChIKeyFSCJYBOAPHMVRX-UHFFFAOYSA-N
MW312.15 g/mol
LogP4.45
Rot. Bonds3

About N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide

N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide (PubChem CID 11674015) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide
PubChem CID11674015
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC NameN-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1
InChIInChI=1S/C14H11Cl2NO3/c1-8(18)17-10-3-5-13(11(16)7-10)20-14-4-2-9(15)6-12(14)19/h2-7,19H,1H3,(H,17,18)
InChIKeyFSCJYBOAPHMVRX-UHFFFAOYSA-N
XLogP4.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide?
The IUPAC name of N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide (CID 11674015) is N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide?
The canonical SMILES for N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide?
The InChIKey is FSCJYBOAPHMVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c1-8(18)17-10-3-5-13(11(16)7-10)20-14-4-2-9(15)6-12(14)19/h2-7,19H,1H3,(H,17,18).
What are the key properties of N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide?
N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide has a molecular weight of 312.15 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]acetamide is sourced from PubChem (CID 11674015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).