N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxyphenoxy)acetamide

C21H18ClNO4 — CID 2126686

IUPACN-(5-chloro-2-phenoxyphenyl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1
InChIInChI=1S/C21H18ClNO4/c1-25-17-8-5-9-18(13-17)26-14-21(24)23-19-12-15(22)10-11-20(19)27-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,23,24)
InChIKeyUYAGPGYBWHBKAC-UHFFFAOYSA-N
MW383.83 g/mol
LogP5.16
Rot. Bonds7

About N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxyphenoxy)acetamide

N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxyphenoxy)acetamide (PubChem CID 2126686) has the molecular formula C21H18ClNO4 and a molecular weight of 383.83 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-(3-methoxyphenoxy)acetamide
PubChem CID2126686
Molecular FormulaC21H18ClNO4
Molecular Weight383.83 g/mol
Exact Mass383.09
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1
InChIInChI=1S/C21H18ClNO4/c1-25-17-8-5-9-18(13-17)26-14-21(24)23-19-12-15(22)10-11-20(19)27-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,23,24)
InChIKeyUYAGPGYBWHBKAC-UHFFFAOYSA-N
XLogP5.16
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.83
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxyphenoxy)acetamide (CID 2126686) is N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxyphenoxy)acetamide?
The InChIKey is UYAGPGYBWHBKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO4/c1-25-17-8-5-9-18(13-17)26-14-21(24)23-19-12-15(22)10-11-20(19)27-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxyphenoxy)acetamide?
N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxyphenoxy)acetamide has a molecular weight of 383.83 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 2126686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).