3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide

C20H20ClN3O2 — CID 19292732

IUPAC3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cccc(COc3ccc(Cl)cc3)c2)n(C)n1
InChIInChI=1S/C20H20ClN3O2/c1-14-10-18(24(2)23-14)12-22-20(25)16-5-3-4-15(11-16)13-26-19-8-6-17(21)7-9-19/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyHOEYPAOXWCWDCI-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.89
Rot. Bonds6

About 3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide

3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide (PubChem CID 19292732) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide
PubChem CID19292732
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cccc(COc3ccc(Cl)cc3)c2)n(C)n1
InChIInChI=1S/C20H20ClN3O2/c1-14-10-18(24(2)23-14)12-22-20(25)16-5-3-4-15(11-16)13-26-19-8-6-17(21)7-9-19/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyHOEYPAOXWCWDCI-UHFFFAOYSA-N
XLogP3.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 19292722
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(4-chlorophenoxy)methyl]benzamide
CID 19295429
3-[(4-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327758
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide
CID 19288449
3-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329169
N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide
CID 74250263
2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 171673968
3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331075
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19292784
N-[(2-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19294521
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide (CID 19292732) is 3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide is Cc1cc(CNC(=O)c2cccc(COc3ccc(Cl)cc3)c2)n(C)n1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide?
The InChIKey is HOEYPAOXWCWDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-10-18(24(2)23-14)12-22-20(25)16-5-3-4-15(11-16)13-26-19-8-6-17(21)7-9-19/h3-11H,12-13H2,1-2H3,(H,22,25).
What are the key properties of 3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide?
3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide has a molecular weight of 369.85 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19292732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).