2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide

C18H16ClN3O2 — CID 51238001

IUPAC2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)n1
InChIInChI=1S/C18H16ClN3O2/c1-22-10-9-17(21-22)20-18(23)12-24-16-8-7-14(11-15(16)19)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,20,21,23)
InChIKeyODXJUCDKNLCARO-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.76
Rot. Bonds5

About 2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide

2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 51238001) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID51238001
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)n1
InChIInChI=1S/C18H16ClN3O2/c1-22-10-9-17(21-22)20-18(23)12-24-16-8-7-14(11-15(16)19)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,20,21,23)
InChIKeyODXJUCDKNLCARO-UHFFFAOYSA-N
XLogP3.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
N-(1-methylpyrazol-3-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 18152526
ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate
CID 7653195
2-(2-chloro-4-phenylphenoxy)-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 55549199
N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119627165
2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 24639231
2-(2-chloro-4-phenylphenoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7653192
2-(2-chloro-4-phenylphenoxy)-N-(3-cyanothiophen-2-yl)acetamide
CID 18224963
2-(2-chloro-4-phenylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 134030744
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 42896247
2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide
CID 7653172

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide (CID 51238001) is 2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)n1.
What is the InChIKey of 2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is ODXJUCDKNLCARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-22-10-9-17(21-22)20-18(23)12-24-16-8-7-14(11-15(16)19)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,20,21,23).
What are the key properties of 2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 341.80 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylphenoxy)-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 51238001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).