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

C20H19Cl2N3O2 — CID 19458220

IUPAC3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCN(Cc1ccnn1C)C(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H19Cl2N3O2/c1-24(12-17-8-9-23-25(17)2)20(26)15-5-3-4-14(10-15)13-27-19-7-6-16(21)11-18(19)22/h3-11H,12-13H2,1-2H3
InChIKeyDPACYZCWUKKQMJ-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.58
Rot. Bonds6

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

3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 19458220) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID19458220
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCN(Cc1ccnn1C)C(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H19Cl2N3O2/c1-24(12-17-8-9-23-25(17)2)20(26)15-5-3-4-14(10-15)13-27-19-7-6-16(21)11-18(19)22/h3-11H,12-13H2,1-2H3
InChIKeyDPACYZCWUKKQMJ-UHFFFAOYSA-N
XLogP4.58
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[(2,4-dichlorophenoxy)methyl]-N-methylbenzamide
CID 19460553
5-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 4867387
3-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454276
4-[(4-chlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458304
2,4-dichloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19581466
4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292553
3-[(4-chlorophenoxy)methyl]-4-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458228
3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458189
3-[(3-bromophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454293
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(2,4-dichlorophenoxy)methyl]-N-methylbenzamide
CID 19464554
3-[(4-chloro-2-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19294630
3-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292613

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 19458220) is 3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide is CN(Cc1ccnn1C)C(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is DPACYZCWUKKQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-24(12-17-8-9-23-25(17)2)20(26)15-5-3-4-14(10-15)13-27-19-7-6-16(21)11-18(19)22/h3-11H,12-13H2,1-2H3.
What are the key properties of 3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 404.30 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19458220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).