2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide

C19H22BrNO3 — CID 55748360

IUPAC2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESCC(C)OCc1ccc(CNC(=O)COc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrNO3/c1-14(2)23-12-16-5-3-15(4-6-16)11-21-19(22)13-24-18-9-7-17(20)8-10-18/h3-10,14H,11-13H2,1-2H3,(H,21,22)
InChIKeyXDNQKHBHBAPGPX-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.07
Rot. Bonds8

About 2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide

2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide (PubChem CID 55748360) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
PubChem CID55748360
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESCC(C)OCc1ccc(CNC(=O)COc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrNO3/c1-14(2)23-12-16-5-3-15(4-6-16)11-21-19(22)13-24-18-9-7-17(20)8-10-18/h3-10,14H,11-13H2,1-2H3,(H,21,22)
InChIKeyXDNQKHBHBAPGPX-UHFFFAOYSA-N
XLogP4.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 47043812
2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide
CID 48677738
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492
2-(4-tert-butylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633311
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1122194
N-[[4-(bromomethyl)phenyl]methyl]-2-propan-2-yloxyacetamide
CID 107233774
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55797782
5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798078

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide (CID 55748360) is 2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide is CC(C)OCc1ccc(CNC(=O)COc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The InChIKey is XDNQKHBHBAPGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-14(2)23-12-16-5-3-15(4-6-16)11-21-19(22)13-24-18-9-7-17(20)8-10-18/h3-10,14H,11-13H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide has a molecular weight of 392.29 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55748360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).