3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide

C18H16BrN3O2 — CID 55912025

IUPAC3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide
SMILESO=C(CCOc1cccc(Br)c1)Nc1ccccc1-n1ccnc1
InChIInChI=1S/C18H16BrN3O2/c19-14-4-3-5-15(12-14)24-11-8-18(23)21-16-6-1-2-7-17(16)22-10-9-20-13-22/h1-7,9-10,12-13H,8,11H2,(H,21,23)
InChIKeyJUJWREIIEWKJGI-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.04
Rot. Bonds6

About 3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide

3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide (PubChem CID 55912025) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide
PubChem CID55912025
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide
SMILESO=C(CCOc1cccc(Br)c1)Nc1ccccc1-n1ccnc1
InChIInChI=1S/C18H16BrN3O2/c19-14-4-3-5-15(12-14)24-11-8-18(23)21-16-6-1-2-7-17(16)22-10-9-20-13-22/h1-7,9-10,12-13H,8,11H2,(H,21,23)
InChIKeyJUJWREIIEWKJGI-UHFFFAOYSA-N
XLogP4.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
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N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide
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3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide
CID 26687164
3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
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CID 7958724

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide (CID 55912025) is 3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide is O=C(CCOc1cccc(Br)c1)Nc1ccccc1-n1ccnc1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide?
The InChIKey is JUJWREIIEWKJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c19-14-4-3-5-15(12-14)24-11-8-18(23)21-16-6-1-2-7-17(16)22-10-9-20-13-22/h1-7,9-10,12-13H,8,11H2,(H,21,23).
What are the key properties of 3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide?
3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide has a molecular weight of 386.25 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(2-imidazol-1-ylphenyl)propanamide is sourced from PubChem (CID 55912025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).