2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide

C20H19BrClN3O4 — CID 43033838

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCOc1cccc(Cn2nccc2NC(=O)COc2ccc(Cl)cc2Br)c1OC
InChIInChI=1S/C20H19BrClN3O4/c1-27-17-5-3-4-13(20(17)28-2)11-25-18(8-9-23-25)24-19(26)12-29-16-7-6-14(22)10-15(16)21/h3-10H,11-12H2,1-2H3,(H,24,26)
InChIKeyKOBWHPDOEQPFRY-UHFFFAOYSA-N
MW480.75 g/mol
LogP4.38
Rot. Bonds8

About 2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 43033838) has the molecular formula C20H19BrClN3O4 and a molecular weight of 480.75 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID43033838
Molecular FormulaC20H19BrClN3O4
Molecular Weight480.75 g/mol
Exact Mass479.02
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCOc1cccc(Cn2nccc2NC(=O)COc2ccc(Cl)cc2Br)c1OC
InChIInChI=1S/C20H19BrClN3O4/c1-27-17-5-3-4-13(20(17)28-2)11-25-18(8-9-23-25)24-19(26)12-29-16-7-6-14(22)10-15(16)21/h3-10H,11-12H2,1-2H3,(H,24,26)
InChIKeyKOBWHPDOEQPFRY-UHFFFAOYSA-N
XLogP4.38
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.75
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide
CID 43040304
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327
2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 52542142
methyl 3-bromo-4-[2-[[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethoxy]benzoate
CID 39036804
2-phenoxy-N-[2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 155909327
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 51248461
2-cyclopentyl-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 51248440
6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide
CID 55442046
(E)-3-(2-bromophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 98643129

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide (CID 43033838) is 2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide is COc1cccc(Cn2nccc2NC(=O)COc2ccc(Cl)cc2Br)c1OC.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is KOBWHPDOEQPFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrClN3O4/c1-27-17-5-3-4-13(20(17)28-2)11-25-18(8-9-23-25)24-19(26)12-29-16-7-6-14(22)10-15(16)21/h3-10H,11-12H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 480.75 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 43033838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).