2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

C18H15BrClN3O2 — CID 39190233

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H15BrClN3O2/c19-16-10-14(20)5-6-17(16)25-12-18(24)22-15-4-1-3-13(9-15)11-23-8-2-7-21-23/h1-10H,11-12H2,(H,22,24)
InChIKeyKKNAZSOKVDOCPB-UHFFFAOYSA-N
MW420.69 g/mol
LogP4.36
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 39190233) has the molecular formula C18H15BrClN3O2 and a molecular weight of 420.69 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID39190233
Molecular FormulaC18H15BrClN3O2
Molecular Weight420.69 g/mol
Exact Mass419.00
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H15BrClN3O2/c19-16-10-14(20)5-6-17(16)25-12-18(24)22-15-4-1-3-13(9-15)11-23-8-2-7-21-23/h1-10H,11-12H2,(H,22,24)
InChIKeyKKNAZSOKVDOCPB-UHFFFAOYSA-N
XLogP4.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.69
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39694973
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 25431218
N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231269
2-(2-bromo-4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 46799156
2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7900662
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
2-(2,5-dichlorophenoxy)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60703773
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164499
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
CID 3306540
2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide
CID 5229732

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 39190233) is 2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is O=C(COc1ccc(Cl)cc1Br)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is KKNAZSOKVDOCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O2/c19-16-10-14(20)5-6-17(16)25-12-18(24)22-15-4-1-3-13(9-15)11-23-8-2-7-21-23/h1-10H,11-12H2,(H,22,24).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 420.69 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 39190233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).