4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide

C22H24ClN3O2 — CID 19454365

IUPAC4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
SMILESCCn1nccc1CN(C)C(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C22H24ClN3O2/c1-4-26-19(11-12-24-26)14-25(3)22(27)18-7-5-17(6-8-18)15-28-20-9-10-21(23)16(2)13-20/h5-13H,4,14-15H2,1-3H3
InChIKeyMROZCLJQOMDALO-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.72
Rot. Bonds7

About 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide

4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide (PubChem CID 19454365) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
PubChem CID19454365
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
SMILESCCn1nccc1CN(C)C(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C22H24ClN3O2/c1-4-26-19(11-12-24-26)14-25(3)22(27)18-7-5-17(6-8-18)15-28-20-9-10-21(23)16(2)13-20/h5-13H,4,14-15H2,1-3H3
InChIKeyMROZCLJQOMDALO-UHFFFAOYSA-N
XLogP4.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454276
4-[(3,4-dimethylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19471966
4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458304
3-[(3-bromophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454293
4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 122143622
4-(difluoromethoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454317
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]-N-methylbenzamide
CID 19460406
4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19443806
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491225
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methylbenzamide
CID 19458527
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(2,4-dichlorophenoxy)methyl]-N-methylbenzamide
CID 19464554
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452202

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide (CID 19454365) is 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide is CCn1nccc1CN(C)C(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide?
The InChIKey is MROZCLJQOMDALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-4-26-19(11-12-24-26)14-25(3)22(27)18-7-5-17(6-8-18)15-28-20-9-10-21(23)16(2)13-20/h5-13H,4,14-15H2,1-3H3.
What are the key properties of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide?
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide has a molecular weight of 397.91 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 19454365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).