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

C18H15Cl2N3O2 — CID 17468468

IUPAC2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccnn1Cc1cccc(Cl)c1
InChIInChI=1S/C18H15Cl2N3O2/c19-14-5-3-4-13(10-14)11-23-17(8-9-21-23)22-18(24)12-25-16-7-2-1-6-15(16)20/h1-10H,11-12H2,(H,22,24)
InChIKeyBWBJHDDTBLPCJJ-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.26
Rot. Bonds6

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

2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 17468468) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID17468468
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccnn1Cc1cccc(Cl)c1
InChIInChI=1S/C18H15Cl2N3O2/c19-14-5-3-4-13(10-14)11-23-17(8-9-21-23)22-18(24)12-25-16-7-2-1-6-15(16)20/h1-10H,11-12H2,(H,22,24)
InChIKeyBWBJHDDTBLPCJJ-UHFFFAOYSA-N
XLogP4.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-cyanophenoxy)acetamide
CID 17464978
methyl 3-bromo-4-[2-[[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethoxy]benzoate
CID 39036804
N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
CID 7492056
N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
CID 2542749
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-cyanophenoxy)acetamide
CID 26725895
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78813776
2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 52542142
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide
CID 18126844
2-(2-methoxyphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 42535302
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide (CID 17468468) is 2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide is O=C(COc1ccccc1Cl)Nc1ccnn1Cc1cccc(Cl)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is BWBJHDDTBLPCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c19-14-5-3-4-13(10-14)11-23-17(8-9-21-23)22-18(24)12-25-16-7-2-1-6-15(16)20/h1-10H,11-12H2,(H,22,24).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 376.24 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 17468468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).