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

C22H24ClN3O2 — CID 19288698

IUPAC4-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide
SMILESCCn1cc(CNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)c(C)n1
InChIInChI=1S/C22H24ClN3O2/c1-4-26-13-19(16(3)25-26)12-24-22(27)18-7-5-17(6-8-18)14-28-20-9-10-21(23)15(2)11-20/h5-11,13H,4,12,14H2,1-3H3,(H,24,27)
InChIKeyCVRWJTKXUJDEEO-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.68
Rot. Bonds7

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

4-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 19288698) 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-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide
PubChem CID19288698
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name4-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide
SMILESCCn1cc(CNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)c(C)n1
InChIInChI=1S/C22H24ClN3O2/c1-4-26-13-19(16(3)25-26)12-24-22(27)18-7-5-17(6-8-18)14-28-20-9-10-21(23)15(2)11-20/h5-11,13H,4,12,14H2,1-3H3,(H,24,27)
InChIKeyCVRWJTKXUJDEEO-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromo-2-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide
CID 19288699
[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19572291
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19288632
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide
CID 19332958
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 19295521
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467224
5-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19417001
4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443972
5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19288684
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide
CID 24537801
4-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400516
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 19408812

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide (CID 19288698) is 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide is CCn1cc(CNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)c(C)n1.
What is the InChIKey of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is CVRWJTKXUJDEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-4-26-13-19(16(3)25-26)12-24-22(27)18-7-5-17(6-8-18)14-28-20-9-10-21(23)15(2)11-20/h5-11,13H,4,12,14H2,1-3H3,(H,24,27).
What are the key properties of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide?
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 397.91 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 19288698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).