N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide

C20H19Cl2N3O2 — CID 19332958

IUPACN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide
SMILESCCn1cc(Cl)c(CNC(=O)c2ccc(COc3cccc(Cl)c3)cc2)n1
InChIInChI=1S/C20H19Cl2N3O2/c1-2-25-12-18(22)19(24-25)11-23-20(26)15-8-6-14(7-9-15)13-27-17-5-3-4-16(21)10-17/h3-10,12H,2,11,13H2,1H3,(H,23,26)
InChIKeyVNJXZDMOTLCZNA-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.72
Rot. Bonds7

About N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide (PubChem CID 19332958) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide
PubChem CID19332958
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide
SMILESCCn1cc(Cl)c(CNC(=O)c2ccc(COc3cccc(Cl)c3)cc2)n1
InChIInChI=1S/C20H19Cl2N3O2/c1-2-25-12-18(22)19(24-25)11-23-20(26)15-8-6-14(7-9-15)13-27-17-5-3-4-16(21)10-17/h3-10,12H,2,11,13H2,1H3,(H,23,26)
InChIKeyVNJXZDMOTLCZNA-UHFFFAOYSA-N
XLogP4.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-[(4-chloro-2-methylphenoxy)methyl]benzamide
CID 19332939
4-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292411
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19331299
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide
CID 19288698
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]benzamide
CID 19332955
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide
CID 19331292
N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19400752
4-[(3-chlorophenoxy)methyl]benzohydrazide
CID 7022246
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 19333052
4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
CID 19394370
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19296674
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19333065

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide (CID 19332958) is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide is CCn1cc(Cl)c(CNC(=O)c2ccc(COc3cccc(Cl)c3)cc2)n1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide?
The InChIKey is VNJXZDMOTLCZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-2-25-12-18(22)19(24-25)11-23-20(26)15-8-6-14(7-9-15)13-27-17-5-3-4-16(21)10-17/h3-10,12H,2,11,13H2,1H3,(H,23,26).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide?
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide has a molecular weight of 404.30 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide is sourced from PubChem (CID 19332958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).