3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide

C22H24ClN3O2 — CID 19415058

IUPAC3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
SMILESCCn1nccc1C(C)NC(=O)c1cccc(COc2ccc(Cl)cc2C)c1
InChIInChI=1S/C22H24ClN3O2/c1-4-26-20(10-11-24-26)16(3)25-22(27)18-7-5-6-17(13-18)14-28-21-9-8-19(23)12-15(21)2/h5-13,16H,4,14H2,1-3H3,(H,25,27)
InChIKeyNIBCWQCKFJTLEG-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.93
Rot. Bonds7

About 3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide

3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide (PubChem CID 19415058) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
PubChem CID19415058
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
SMILESCCn1nccc1C(C)NC(=O)c1cccc(COc2ccc(Cl)cc2C)c1
InChIInChI=1S/C22H24ClN3O2/c1-4-26-20(10-11-24-26)16(3)25-22(27)18-7-5-6-17(13-18)14-28-21-9-8-19(23)12-15(21)2/h5-13,16H,4,14H2,1-3H3,(H,25,27)
InChIKeyNIBCWQCKFJTLEG-UHFFFAOYSA-N
XLogP4.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19414975
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
CID 19415033
3-[(4-chloro-2-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19294630
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide
CID 19415003
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-[(4-chloro-2-methylphenoxy)methyl]benzamide
CID 19332939
4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
CID 19503185
3-[(4-chloro-2-methylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393502
3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395606
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19323046
3-[(4-chloro-2-methylphenoxy)methyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19338003
3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338287
3-[(4-chloro-2-methylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 19288491

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide (CID 19415058) is 3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide is CCn1nccc1C(C)NC(=O)c1cccc(COc2ccc(Cl)cc2C)c1.
What is the InChIKey of 3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is NIBCWQCKFJTLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-4-26-20(10-11-24-26)16(3)25-22(27)18-7-5-6-17(13-18)14-28-21-9-8-19(23)12-15(21)2/h5-13,16H,4,14H2,1-3H3,(H,25,27).
What are the key properties of 3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide?
3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 397.91 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 19415058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).