2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide

C18H15BrClN3O2 — CID 52542142

IUPAC2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(COc1ccccc1Br)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C18H15BrClN3O2/c19-14-6-2-4-8-16(14)25-12-18(24)22-17-9-10-21-23(17)11-13-5-1-3-7-15(13)20/h1-10H,11-12H2,(H,22,24)
InChIKeyLNDPOKGSGSCIOG-UHFFFAOYSA-N
MW420.69 g/mol
LogP4.36
Rot. Bonds6

About 2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide

2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 52542142) has the molecular formula C18H15BrClN3O2 and a molecular weight of 420.69 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID52542142
Molecular FormulaC18H15BrClN3O2
Molecular Weight420.69 g/mol
Exact Mass419.00
IUPAC Name2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(COc1ccccc1Br)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C18H15BrClN3O2/c19-14-6-2-4-8-16(14)25-12-18(24)22-17-9-10-21-23(17)11-13-5-1-3-7-15(13)20/h1-10H,11-12H2,(H,22,24)
InChIKeyLNDPOKGSGSCIOG-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

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methyl-3-nitrophenoxy)acetamide
CID 60518206
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide
CID 36562769
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78813776
2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 43033838
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 36643198
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 9168457
2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 17468468
N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
CID 7492056
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
CID 55496936
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 24509765

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide (CID 52542142) is 2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide is O=C(COc1ccccc1Br)Nc1ccnn1Cc1ccccc1Cl.
What is the InChIKey of 2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is LNDPOKGSGSCIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O2/c19-14-6-2-4-8-16(14)25-12-18(24)22-17-9-10-21-23(17)11-13-5-1-3-7-15(13)20/h1-10H,11-12H2,(H,22,24).
What are the key properties of 2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]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-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 52542142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).