2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide

C24H21N3O3 — CID 55536773

IUPAC2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C24H21N3O3/c28-24(25-23-15-16-27(26-23)19-9-3-1-4-10-19)21-13-7-8-14-22(21)30-18-17-29-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,25,26,28)
InChIKeyCXLXTFFRHVGVMH-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.58
Rot. Bonds8

About 2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide

2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide (PubChem CID 55536773) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide
PubChem CID55536773
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C24H21N3O3/c28-24(25-23-15-16-27(26-23)19-9-3-1-4-10-19)21-13-7-8-14-22(21)30-18-17-29-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,25,26,28)
InChIKeyCXLXTFFRHVGVMH-UHFFFAOYSA-N
XLogP4.58
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

phenyl N-(1-phenylpyrazol-3-yl)carbamate
CID 110472459
2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide
CID 47021837
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
N-methyl-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17354042
N-naphthalen-2-yl-2-(2-phenoxyethoxy)benzamide
CID 17231987
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
2-(2-phenoxyethoxy)-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098022
CID 154652808
CID 154652808
2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4954440
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide (CID 55536773) is 2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide is O=C(Nc1ccn(-c2ccccc2)n1)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of 2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide?
The InChIKey is CXLXTFFRHVGVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-24(25-23-15-16-27(26-23)19-9-3-1-4-10-19)21-13-7-8-14-22(21)30-18-17-29-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,25,26,28).
What are the key properties of 2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide?
2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide has a molecular weight of 399.45 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 55536773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).