2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide

C19H18BrN3O2 — CID 43074030

IUPAC2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)COc2ccc(Br)cc2)n1
InChIInChI=1S/C19H18BrN3O2/c1-13-11-14(2)23(22-13)18-6-4-3-5-17(18)21-19(24)12-25-16-9-7-15(20)8-10-16/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyGYURISVTCFOVDA-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide

2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide (PubChem CID 43074030) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide
PubChem CID43074030
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)COc2ccc(Br)cc2)n1
InChIInChI=1S/C19H18BrN3O2/c1-13-11-14(2)23(22-13)18-6-4-3-5-17(18)21-19(24)12-25-16-9-7-15(20)8-10-16/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyGYURISVTCFOVDA-UHFFFAOYSA-N
XLogP4.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 43074025
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 52847994
2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 1263245
2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-5,7-dimethyl-1,3-benzothiazol-6-yl]acetamide
CID 50881015
3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
CID 55670156
2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide
CID 86988542
N-(2-amino-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 43376437
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754558
N-(5-bromo-2-methylphenyl)-2-phenoxyacetamide
CID 43806384
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4942499
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide
CID 51646169

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide (CID 43074030) is 2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide is Cc1cc(C)n(-c2ccccc2NC(=O)COc2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide?
The InChIKey is GYURISVTCFOVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-13-11-14(2)23(22-13)18-6-4-3-5-17(18)21-19(24)12-25-16-9-7-15(20)8-10-16/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide?
2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide has a molecular weight of 400.28 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 43074030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).