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

C16H16BrNO3 — CID 17400822

IUPAC2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO3/c1-20-15-4-2-3-12(9-15)10-18-16(19)11-21-14-7-5-13(17)6-8-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyCFRSUYDOSOPKAI-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.15
Rot. Bonds6

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

2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 17400822) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID17400822
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)COc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO3/c1-20-15-4-2-3-12(9-15)10-18-16(19)11-21-14-7-5-13(17)6-8-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyCFRSUYDOSOPKAI-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-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 7842501
N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 17071181
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525181
2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525110
2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8633789
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide (CID 17400822) is 2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)COc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is CFRSUYDOSOPKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-20-15-4-2-3-12(9-15)10-18-16(19)11-21-14-7-5-13(17)6-8-14/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide?
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]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 2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 17400822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).