2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C17H23ClN4O2 — CID 18166272

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)CN(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN4O2/c1-13(2)22-16(8-9-19-22)20-17(23)12-21(3)10-11-24-15-6-4-14(18)5-7-15/h4-9,13H,10-12H2,1-3H3,(H,20,23)
InChIKeyBEOBYZJSMNTZSR-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.07
Rot. Bonds8

About 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 18166272) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID18166272
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)CN(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN4O2/c1-13(2)22-16(8-9-19-22)20-17(23)12-21(3)10-11-24-15-6-4-14(18)5-7-15/h4-9,13H,10-12H2,1-3H3,(H,20,23)
InChIKeyBEOBYZJSMNTZSR-UHFFFAOYSA-N
XLogP3.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid
CID 43442439
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9252381
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9252437
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2,5-difluorophenyl)acetamide
CID 4824878
4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422
methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 27250238
3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186728
2-(3,4-dichlorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063528
2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097263
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 27250200
2-(4-chlorophenoxy)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]acetamide
CID 29339507
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide
CID 4824875

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 18166272) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)CN(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is BEOBYZJSMNTZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-13(2)22-16(8-9-19-22)20-17(23)12-21(3)10-11-24-15-6-4-14(18)5-7-15/h4-9,13H,10-12H2,1-3H3,(H,20,23).
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 350.85 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 18166272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).