2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide

C12H10Cl3N3O — CID 19322901

IUPAC2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide
SMILESCn1ncc(Cl)c1CNC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl3N3O/c1-18-10(9(14)5-17-18)6-16-12(19)7-3-2-4-8(13)11(7)15/h2-5H,6H2,1H3,(H,16,19)
InChIKeyDBEICZHFRKCEIV-UHFFFAOYSA-N
MW318.59 g/mol
LogP3.31
Rot. Bonds3

About 2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide

2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide (PubChem CID 19322901) has the molecular formula C12H10Cl3N3O and a molecular weight of 318.59 g/mol. Its IUPAC name is 2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide
PubChem CID19322901
Molecular FormulaC12H10Cl3N3O
Molecular Weight318.59 g/mol
Exact Mass316.99
IUPAC Name2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide
SMILESCn1ncc(Cl)c1CNC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl3N3O/c1-18-10(9(14)5-17-18)6-16-12(19)7-3-2-4-8(13)11(7)15/h2-5H,6H2,1H3,(H,16,19)
InChIKeyDBEICZHFRKCEIV-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.59
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide
CID 79523235
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide
CID 19322972
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]furan-2-carboxamide
CID 19322761
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[(2,3-dichlorophenoxy)methyl]benzamide
CID 19322875
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19322885
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide
CID 19322664
3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 103861041
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19322734
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-nitrobenzamide
CID 106033223
4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412367
2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
CID 86968465

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide (CID 19322901) is 2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide is Cn1ncc(Cl)c1CNC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide?
The InChIKey is DBEICZHFRKCEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3O/c1-18-10(9(14)5-17-18)6-16-12(19)7-3-2-4-8(13)11(7)15/h2-5H,6H2,1H3,(H,16,19).
What are the key properties of 2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide?
2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide has a molecular weight of 318.59 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 19322901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).