3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide

C19H18ClN3O2 — CID 19329189

IUPAC3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1ccc(CNC(=O)c2cccc(COc3ccccc3Cl)c2)n1
InChIInChI=1S/C19H18ClN3O2/c1-23-10-9-16(22-23)12-21-19(24)15-6-4-5-14(11-15)13-25-18-8-3-2-7-17(18)20/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyWMDPANIBRJASAI-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.58
Rot. Bonds6

About 3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide

3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 19329189) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID19329189
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1ccc(CNC(=O)c2cccc(COc3ccccc3Cl)c2)n1
InChIInChI=1S/C19H18ClN3O2/c1-23-10-9-16(22-23)12-21-19(24)15-6-4-5-14(11-15)13-25-18-8-3-2-7-17(18)20/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyWMDPANIBRJASAI-UHFFFAOYSA-N
XLogP3.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329169
3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330904
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-[(2-chlorophenoxy)methyl]benzamide
CID 19333126
3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[(2,3-dichlorophenoxy)methyl]benzamide
CID 19322875
3-[(2-bromophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292346
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283688
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 175833533
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331075
3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330938
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(2,3-dichlorophenoxy)methyl]benzamide
CID 19296844

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 19329189) is 3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide is Cn1ccc(CNC(=O)c2cccc(COc3ccccc3Cl)c2)n1.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is WMDPANIBRJASAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-23-10-9-16(22-23)12-21-19(24)15-6-4-5-14(11-15)13-25-18-8-3-2-7-17(18)20/h2-11H,12-13H2,1H3,(H,21,24).
What are the key properties of 3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 355.83 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19329189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).