N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide

C20H20ClN3O2 — CID 18167229

IUPACN-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCN(CCOc1ccccc1Cl)C(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H20ClN3O2/c1-23(11-12-26-19-10-6-5-9-18(19)21)20(25)13-16-14-22-24(15-16)17-7-3-2-4-8-17/h2-10,14-15H,11-13H2,1H3
InChIKeyDQBSJIXVXKFVGM-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.61
Rot. Bonds7

About N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide

N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 18167229) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID18167229
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCN(CCOc1ccccc1Cl)C(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H20ClN3O2/c1-23(11-12-26-19-10-6-5-9-18(19)21)20(25)13-16-14-22-24(15-16)17-7-3-2-4-8-17/h2-10,14-15H,11-13H2,1H3
InChIKeyDQBSJIXVXKFVGM-UHFFFAOYSA-N
XLogP3.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47026270
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961762
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949715
2-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8962293
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24648761
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
N-methyl-2-[methyl(2-phenoxyethyl)amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166222
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17471481
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 31031484
N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950361
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 17410585

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide (CID 18167229) is N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide is CN(CCOc1ccccc1Cl)C(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is DQBSJIXVXKFVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-23(11-12-26-19-10-6-5-9-18(19)21)20(25)13-16-14-22-24(15-16)17-7-3-2-4-8-17/h2-10,14-15H,11-13H2,1H3.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide?
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 369.85 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 18167229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).