2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

C19H18BrN3O3 — CID 3946415

IUPAC2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)COc2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H18BrN3O3/c1-13-18(19(25)23(22(13)2)15-8-4-3-5-9-15)21-17(24)12-26-16-10-6-7-14(20)11-16/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyKWUOGBMWEZLWHF-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.26
Rot. Bonds5

About 2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (PubChem CID 3946415) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
PubChem CID3946415
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)COc2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H18BrN3O3/c1-13-18(19(25)23(22(13)2)15-8-4-3-5-9-15)21-17(24)12-26-16-10-6-7-14(20)11-16/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyKWUOGBMWEZLWHF-UHFFFAOYSA-N
XLogP3.26
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-phenoxyacetamide
CID 302755
N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(4-bromophenoxy)acetamide
CID 2983410
2-(4-bromophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 24978889
3-[[2-(3-bromophenoxy)acetyl]amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 2337660
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide
CID 4791179
2-(4-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 18837931
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide
CID 1103558
[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 16533769
2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 1263245
2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 1308633
N-(4-bromo-2-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 2463361
2-(4-bromophenoxy)-N-[4-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 2978202

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (CID 3946415) is 2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is Cc1c(NC(=O)COc2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The InChIKey is KWUOGBMWEZLWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-13-18(19(25)23(22(13)2)15-8-4-3-5-9-15)21-17(24)12-26-16-10-6-7-14(20)11-16/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide has a molecular weight of 416.28 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 3946415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).