4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide

C20H20ClN3O2 — CID 19458304

IUPAC4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCN(Cc1ccnn1C)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClN3O2/c1-23(13-18-11-12-22-24(18)2)20(25)16-5-3-15(4-6-16)14-26-19-9-7-17(21)8-10-19/h3-12H,13-14H2,1-2H3
InChIKeyJYUVOZQOYGVVMC-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.92
Rot. Bonds6

About 4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide

4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 19458304) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID19458304
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCN(Cc1ccnn1C)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClN3O2/c1-23(13-18-11-12-22-24(18)2)20(25)16-5-3-15(4-6-16)14-26-19-9-7-17(21)8-10-19/h3-12H,13-14H2,1-2H3
InChIKeyJYUVOZQOYGVVMC-UHFFFAOYSA-N
XLogP3.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenoxy)methyl]-4-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458228
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454365
3-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454276
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]-N-methylbenzamide
CID 19460406
3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458220
5-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 4867387
2,4-dichloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19581466
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458295
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]benzamide
CID 19322891
1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103024384
3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458189
4-[(4-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452193

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 19458304) is 4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide is CN(Cc1ccnn1C)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is JYUVOZQOYGVVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-23(13-18-11-12-22-24(18)2)20(25)16-5-3-15(4-6-16)14-26-19-9-7-17(21)8-10-19/h3-12H,13-14H2,1-2H3.
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 369.85 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19458304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).