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

C23H18BrN3O2 — CID 53112222

IUPACN-[(3-bromophenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2cnc3ccccc3n2)cc1)NCc1cccc(Br)c1
InChIInChI=1S/C23H18BrN3O2/c24-18-5-3-4-16(12-18)13-26-23(28)15-29-19-10-8-17(9-11-19)22-14-25-20-6-1-2-7-21(20)27-22/h1-12,14H,13,15H2,(H,26,28)
InChIKeyAJIHLKIOHFPYMK-UHFFFAOYSA-N
MW448.32 g/mol
LogP4.75
Rot. Bonds6

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

N-[(3-bromophenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)acetamide (PubChem CID 53112222) has the molecular formula C23H18BrN3O2 and a molecular weight of 448.32 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)acetamide
PubChem CID53112222
Molecular FormulaC23H18BrN3O2
Molecular Weight448.32 g/mol
Exact Mass447.06
IUPAC NameN-[(3-bromophenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2cnc3ccccc3n2)cc1)NCc1cccc(Br)c1
InChIInChI=1S/C23H18BrN3O2/c24-18-5-3-4-16(12-18)13-26-23(28)15-29-19-10-8-17(9-11-19)22-14-25-20-6-1-2-7-21(20)27-22/h1-12,14H,13,15H2,(H,26,28)
InChIKeyAJIHLKIOHFPYMK-UHFFFAOYSA-N
XLogP4.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.32
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53112175
N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664
N-[(3-bromophenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238040
4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide
CID 55665561
N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 60739831
(2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086721
N-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53002388
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 17071181
(2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086758
N-pyridin-3-yl-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53002384
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)acetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)acetamide (CID 53112222) is N-[(3-bromophenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)acetamide is O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)acetamide?
The InChIKey is AJIHLKIOHFPYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O2/c24-18-5-3-4-16(12-18)13-26-23(28)15-29-19-10-8-17(9-11-19)22-14-25-20-6-1-2-7-21(20)27-22/h1-12,14H,13,15H2,(H,26,28).
What are the key properties of N-[(3-bromophenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)acetamide?
N-[(3-bromophenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)acetamide has a molecular weight of 448.32 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)acetamide is sourced from PubChem (CID 53112222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).