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

C22H25ClN4O2 — CID 24648761

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(CCOc1ccc(Cl)cc1)CC(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C22H25ClN4O2/c1-25(12-13-29-21-10-8-19(23)9-11-21)17-22(28)26(2)15-18-14-24-27(16-18)20-6-4-3-5-7-20/h3-11,14,16H,12-13,15,17H2,1-2H3
InChIKeySVSAFUOVJOZVQT-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.49
Rot. Bonds9

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

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 24648761) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID24648761
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(CCOc1ccc(Cl)cc1)CC(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C22H25ClN4O2/c1-25(12-13-29-21-10-8-19(23)9-11-21)17-22(28)26(2)15-18-14-24-27(16-18)20-6-4-3-5-7-20/h3-11,14,16H,12-13,15,17H2,1-2H3
InChIKeySVSAFUOVJOZVQT-UHFFFAOYSA-N
XLogP3.49
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[methyl(2-phenoxyethyl)amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166222
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646
3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47022940
3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47026270
2-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8962293
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55467557
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
4-[(4-chlorophenoxy)methyl]-1-phenylpyrazole
CID 60710740
N-methyl-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 87014713
N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950361

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 24648761) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is CN(CCOc1ccc(Cl)cc1)CC(=O)N(C)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is SVSAFUOVJOZVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-25(12-13-29-21-10-8-19(23)9-11-21)17-22(28)26(2)15-18-14-24-27(16-18)20-6-4-3-5-7-20/h3-11,14,16H,12-13,15,17H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 412.92 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 24648761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).