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

C15H13BrClNO2 — CID 17071181

IUPAC2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NCc1cccc(Cl)c1
InChIInChI=1S/C15H13BrClNO2/c16-12-4-6-14(7-5-12)20-10-15(19)18-9-11-2-1-3-13(17)8-11/h1-8H,9-10H2,(H,18,19)
InChIKeyQAFFWNUVTYRPAI-UHFFFAOYSA-N
MW354.63 g/mol
LogP3.80
Rot. Bonds5

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

2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 17071181) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID17071181
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NCc1cccc(Cl)c1
InChIInChI=1S/C15H13BrClNO2/c16-12-4-6-14(7-5-12)20-10-15(19)18-9-11-2-1-3-13(17)8-11/h1-8H,9-10H2,(H,18,19)
InChIKeyQAFFWNUVTYRPAI-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 17071179
N-[(3-chlorophenyl)methyl]-2-(3-cyanophenoxy)acetamide
CID 7963971
2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311483
N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide
CID 55665561
N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 60739831

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide (CID 17071181) is 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide is O=C(COc1ccc(Br)cc1)NCc1cccc(Cl)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is QAFFWNUVTYRPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c16-12-4-6-14(7-5-12)20-10-15(19)18-9-11-2-1-3-13(17)8-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide?
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 354.63 g/mol, XLogP of 3.80, 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-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 17071181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).