2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(2-methoxyphenyl)acetamide

C16H16ClNO4 — CID 1266427

IUPAC2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(CO)cc1Cl
InChIInChI=1S/C16H16ClNO4/c1-21-15-5-3-2-4-13(15)18-16(20)10-22-14-7-6-11(9-19)8-12(14)17/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyGAAREPHHNDVEFS-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.86
Rot. Bonds6

About 2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(2-methoxyphenyl)acetamide

2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(2-methoxyphenyl)acetamide (PubChem CID 1266427) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(2-methoxyphenyl)acetamide
PubChem CID1266427
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Name2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(CO)cc1Cl
InChIInChI=1S/C16H16ClNO4/c1-21-15-5-3-2-4-13(15)18-16(20)10-22-14-7-6-11(9-19)8-12(14)17/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyGAAREPHHNDVEFS-UHFFFAOYSA-N
XLogP2.86
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(2-methoxyphenyl)acetamide (CID 1266427) is 2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)COc1ccc(CO)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(2-methoxyphenyl)acetamide?
The InChIKey is GAAREPHHNDVEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c1-21-15-5-3-2-4-13(15)18-16(20)10-22-14-7-6-11(9-19)8-12(14)17/h2-8,19H,9-10H2,1H3,(H,18,20).
What are the key properties of 2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(2-methoxyphenyl)acetamide?
2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(2-methoxyphenyl)acetamide has a molecular weight of 321.76 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 1266427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).