N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide

C20H19Cl2N3O2 — CID 19296674

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1cccc(COc2cccc(Cl)c2)c1
InChIInChI=1S/C20H19Cl2N3O2/c1-2-25-19(18(22)11-24-25)12-23-20(26)15-6-3-5-14(9-15)13-27-17-8-4-7-16(21)10-17/h3-11H,2,12-13H2,1H3,(H,23,26)
InChIKeyWQQGPUBOGBHFNI-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.72
Rot. Bonds7

About N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide (PubChem CID 19296674) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide
PubChem CID19296674
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1cccc(COc2cccc(Cl)c2)c1
InChIInChI=1S/C20H19Cl2N3O2/c1-2-25-19(18(22)11-24-25)12-23-20(26)15-6-3-5-14(9-15)13-27-17-8-4-7-16(21)10-17/h3-11H,2,12-13H2,1H3,(H,23,26)
InChIKeyWQQGPUBOGBHFNI-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-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19296693
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(2,3-dichlorophenoxy)methyl]benzamide
CID 19296844
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide
CID 19296682
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19323046
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]benzamide
CID 19296860
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(4-tert-butylphenoxy)methyl]benzamide
CID 19323155
3-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329169
3-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327741
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(4-nitrophenoxy)methyl]benzamide
CID 19323103
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxybenzamide
CID 19296867
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[(2,3-dichlorophenoxy)methyl]benzamide
CID 19322875
3-[(4-chloro-2-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19294630

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide (CID 19296674) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide is CCn1ncc(Cl)c1CNC(=O)c1cccc(COc2cccc(Cl)c2)c1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide?
The InChIKey is WQQGPUBOGBHFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-2-25-19(18(22)11-24-25)12-23-20(26)15-6-3-5-14(9-15)13-27-17-8-4-7-16(21)10-17/h3-11H,2,12-13H2,1H3,(H,23,26).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(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-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide is sourced from PubChem (CID 19296674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).