2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide

C22H18Cl2N4O2 — CID 91426736

IUPAC2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide
SMILESCOCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1-c1cc2ncccn2n1
InChIInChI=1S/C22H18Cl2N4O2/c1-30-12-11-27(22(29)16-8-7-15(23)13-18(16)24)20-6-3-2-5-17(20)19-14-21-25-9-4-10-28(21)26-19/h2-10,13-14H,11-12H2,1H3
InChIKeyCBFFMJSRMONLOT-UHFFFAOYSA-N
MW441.32 g/mol
LogP5.00
Rot. Bonds6

About 2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide

2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide (PubChem CID 91426736) has the molecular formula C22H18Cl2N4O2 and a molecular weight of 441.32 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide
PubChem CID91426736
Molecular FormulaC22H18Cl2N4O2
Molecular Weight441.32 g/mol
Exact Mass440.08
IUPAC Name2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide
SMILESCOCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1-c1cc2ncccn2n1
InChIInChI=1S/C22H18Cl2N4O2/c1-30-12-11-27(22(29)16-8-7-15(23)13-18(16)24)20-6-3-2-5-17(20)19-14-21-25-9-4-10-28(21)26-19/h2-10,13-14H,11-12H2,1H3
InChIKeyCBFFMJSRMONLOT-UHFFFAOYSA-N
XLogP5.00
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide (CID 91426736) is 2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide is COCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1-c1cc2ncccn2n1.
What is the InChIKey of 2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide?
The InChIKey is CBFFMJSRMONLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O2/c1-30-12-11-27(22(29)16-8-7-15(23)13-18(16)24)20-6-3-2-5-17(20)19-14-21-25-9-4-10-28(21)26-19/h2-10,13-14H,11-12H2,1H3.
What are the key properties of 2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide?
2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide has a molecular weight of 441.32 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide is sourced from PubChem (CID 91426736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).