2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide

C13H13Cl2N3O — CID 19452287

IUPAC2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCN(Cc1ccn(C)n1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-17(8-10-5-6-18(2)16-10)13(19)11-4-3-9(14)7-12(11)15/h3-7H,8H2,1-2H3
InChIKeyVQMIWHXBYATJPU-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.00
Rot. Bonds3

About 2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide

2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 19452287) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID19452287
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCN(Cc1ccn(C)n1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-17(8-10-5-6-18(2)16-10)13(19)11-4-3-9(14)7-12(11)15/h3-7H,8H2,1-2H3
InChIKeyVQMIWHXBYATJPU-UHFFFAOYSA-N
XLogP3.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19581466
2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452041
3-[(4-chloro-2-methoxyphenyl)methyl]-1-methyl-1-[(1-methylpyrazol-3-yl)methyl]urea
CID 138049627
N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
CID 62686423
2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide
CID 63391248
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449817
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2-nitrobenzamide
CID 19452047
1-(4-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82868497
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3,5-dinitrobenzamide
CID 19452078
1-(2-amino-4-chlorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82868499
2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 110753573
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide
CID 51190259

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 19452287) is 2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is CN(Cc1ccn(C)n1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is VQMIWHXBYATJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-17(8-10-5-6-18(2)16-10)13(19)11-4-3-9(14)7-12(11)15/h3-7H,8H2,1-2H3.
What are the key properties of 2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 298.17 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19452287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).