2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide

C21H22F2N4O3 — CID 24888831

IUPAC2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2ccc(F)cc2F)ccc1OCCNCCO
InChIInChI=1S/C21H22F2N4O3/c1-27-19(6-7-25-27)17-13-15(3-5-20(17)30-11-9-24-8-10-28)26-21(29)16-4-2-14(22)12-18(16)23/h2-7,12-13,24,28H,8-11H2,1H3,(H,26,29)
InChIKeyQDHXNJSIUBXFRZ-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.58
Rot. Bonds9

About 2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide

2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide (PubChem CID 24888831) has the molecular formula C21H22F2N4O3 and a molecular weight of 416.43 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide
PubChem CID24888831
Molecular FormulaC21H22F2N4O3
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Name2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2ccc(F)cc2F)ccc1OCCNCCO
InChIInChI=1S/C21H22F2N4O3/c1-27-19(6-7-25-27)17-13-15(3-5-20(17)30-11-9-24-8-10-28)26-21(29)16-4-2-14(22)12-18(16)23/h2-7,12-13,24,28H,8-11H2,1H3,(H,26,29)
InChIKeyQDHXNJSIUBXFRZ-UHFFFAOYSA-N
XLogP2.58
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide (CID 24888831) is 2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide is Cn1nccc1-c1cc(NC(=O)c2ccc(F)cc2F)ccc1OCCNCCO.
What is the InChIKey of 2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide?
The InChIKey is QDHXNJSIUBXFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3/c1-27-19(6-7-25-27)17-13-15(3-5-20(17)30-11-9-24-8-10-28)26-21(29)16-4-2-14(22)12-18(16)23/h2-7,12-13,24,28H,8-11H2,1H3,(H,26,29).
What are the key properties of 2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide?
2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide has a molecular weight of 416.43 g/mol, XLogP of 2.58, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[2-(2-hydroxyethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 24888831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).