2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide

C16H16BrNO2 — CID 38294492

IUPAC2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO2/c1-12-3-2-4-13(9-12)10-18-16(19)11-20-15-7-5-14(17)6-8-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyITUOVOFRDHGTEE-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.45
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide

2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 38294492) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID38294492
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO2/c1-12-3-2-4-13(9-12)10-18-16(19)11-20-15-7-5-14(17)6-8-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyITUOVOFRDHGTEE-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 53283091
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 17071181
2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
CID 111439460
N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664
2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294910
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 7842501
4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide
CID 55665561
(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800
N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 60739831
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide (CID 38294492) is 2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)COc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is ITUOVOFRDHGTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-12-3-2-4-13(9-12)10-18-16(19)11-20-15-7-5-14(17)6-8-15/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide?
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 334.21 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 38294492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).