3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide

C20H20ClN3O3 — CID 19340497

IUPAC3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
SMILESCCOCn1cc(NC(=O)c2cccc(COc3ccccc3Cl)c2)cn1
InChIInChI=1S/C20H20ClN3O3/c1-2-26-14-24-12-17(11-22-24)23-20(25)16-7-5-6-15(10-16)13-27-19-9-4-3-8-18(19)21/h3-12H,2,13-14H2,1H3,(H,23,25)
InChIKeySKZKGNVSZWMOLE-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.36
Rot. Bonds8

About 3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide

3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide (PubChem CID 19340497) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
PubChem CID19340497
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
SMILESCCOCn1cc(NC(=O)c2cccc(COc3ccccc3Cl)c2)cn1
InChIInChI=1S/C20H20ClN3O3/c1-2-26-14-24-12-17(11-22-24)23-20(25)16-7-5-6-15(10-16)13-27-19-9-4-3-8-18(19)21/h3-12H,2,13-14H2,1H3,(H,23,25)
InChIKeySKZKGNVSZWMOLE-UHFFFAOYSA-N
XLogP4.36
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340714
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19404861
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400071
3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410119
3-[(2-methoxyphenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340742
2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19507277
3-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346434
2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340469
methyl 2-[[4-[[3-[(2,3-dichlorophenoxy)methyl]benzoyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19402386
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340300
3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395606
3-[(2,4,6-trichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340769

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide (CID 19340497) is 3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide is CCOCn1cc(NC(=O)c2cccc(COc3ccccc3Cl)c2)cn1.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide?
The InChIKey is SKZKGNVSZWMOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-2-26-14-24-12-17(11-22-24)23-20(25)16-7-5-6-15(10-16)13-27-19-9-4-3-8-18(19)21/h3-12H,2,13-14H2,1H3,(H,23,25).
What are the key properties of 3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide?
3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide has a molecular weight of 385.85 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 19340497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).