N-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide

C16H16BrNO4 — CID 1302381

IUPACN-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CO)ccc1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO4/c1-21-15-8-11(9-19)2-7-14(15)22-10-16(20)18-13-5-3-12(17)4-6-13/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyJGAAZCPTQGEIFF-UHFFFAOYSA-N
MW366.21 g/mol
LogP2.97
Rot. Bonds6

About N-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide

N-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide (PubChem CID 1302381) has the molecular formula C16H16BrNO4 and a molecular weight of 366.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
PubChem CID1302381
Molecular FormulaC16H16BrNO4
Molecular Weight366.21 g/mol
Exact Mass365.03
IUPAC NameN-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CO)ccc1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO4/c1-21-15-8-11(9-19)2-7-14(15)22-10-16(20)18-13-5-3-12(17)4-6-13/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyJGAAZCPTQGEIFF-UHFFFAOYSA-N
XLogP2.97
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide (CID 1302381) is N-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide is COc1cc(CO)ccc1OCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide?
The InChIKey is JGAAZCPTQGEIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4/c1-21-15-8-11(9-19)2-7-14(15)22-10-16(20)18-13-5-3-12(17)4-6-13/h2-8,19H,9-10H2,1H3,(H,18,20).
What are the key properties of N-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide?
N-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide has a molecular weight of 366.21 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 1302381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).