N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide

C22H18BrN3O3 — CID 19408676

IUPACN-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1cnn(COc2ccc(Br)cc2)c1
InChIInChI=1S/C22H18BrN3O3/c23-18-6-9-20(10-7-18)29-15-26-13-19(12-24-26)25-22(27)14-28-21-8-5-16-3-1-2-4-17(16)11-21/h1-13H,14-15H2,(H,25,27)
InChIKeyIVDFNNWXFOTUHA-UHFFFAOYSA-N
MW452.31 g/mol
LogP4.85
Rot. Bonds7

About N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide

N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 19408676) has the molecular formula C22H18BrN3O3 and a molecular weight of 452.31 g/mol. Its IUPAC name is N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
PubChem CID19408676
Molecular FormulaC22H18BrN3O3
Molecular Weight452.31 g/mol
Exact Mass451.05
IUPAC NameN-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1cnn(COc2ccc(Br)cc2)c1
InChIInChI=1S/C22H18BrN3O3/c23-18-6-9-20(10-7-18)29-15-26-13-19(12-24-26)25-22(27)14-28-21-8-5-16-3-1-2-4-17(16)11-21/h1-13H,14-15H2,(H,25,27)
InChIKeyIVDFNNWXFOTUHA-UHFFFAOYSA-N
XLogP4.85
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-2-yloxy-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
CID 19340669
N-(1-benzylpyrazol-4-yl)-2-(4-bromophenoxy)acetamide
CID 55947961
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
CID 19407577
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 19408858
2-naphthalen-2-yloxy-N-pyridin-4-ylacetamide
CID 823638
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19522024
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide
CID 60552699
1-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-(3-chlorophenyl)thiourea
CID 19445555
1-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)thiourea
CID 19445585

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide (CID 19408676) is N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)Nc1cnn(COc2ccc(Br)cc2)c1.
What is the InChIKey of N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is IVDFNNWXFOTUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O3/c23-18-6-9-20(10-7-18)29-15-26-13-19(12-24-26)25-22(27)14-28-21-8-5-16-3-1-2-4-17(16)11-21/h1-13H,14-15H2,(H,25,27).
What are the key properties of N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide?
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 452.31 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 19408676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).