N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide

C16H16BrNO3 — CID 55577664

IUPACN-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrNO3/c1-20-14-5-7-15(8-6-14)21-11-16(19)18-10-12-3-2-4-13(17)9-12/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyBREVHXXWDWOKRU-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.15
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide

N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 55577664) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID55577664
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC NameN-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrNO3/c1-20-14-5-7-15(8-6-14)21-11-16(19)18-10-12-3-2-4-13(17)9-12/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyBREVHXXWDWOKRU-UHFFFAOYSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide
CID 55665561
N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 60739831
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 7842501
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
[2-[(3-bromophenyl)methylamino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 50929518
N-[(3-bromophenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53112222
1-[(3-bromophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898814
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681
[2-[(3-bromophenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860539
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 17071181

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide (CID 55577664) is N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NCc2cccc(Br)c2)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is BREVHXXWDWOKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-20-14-5-7-15(8-6-14)21-11-16(19)18-10-12-3-2-4-13(17)9-12/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide?
N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 350.21 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 55577664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).