4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)benzamide

C24H19ClF2N4O3 — CID 3889479

IUPAC4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(-c2nnc(Nc3ccc(OC(F)(F)Cl)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H19ClF2N4O3/c25-24(26,27)34-18-11-9-17(10-12-18)29-22-20-4-2-1-3-19(20)21(30-31-22)15-5-7-16(8-6-15)23(33)28-13-14-32/h1-12,32H,13-14H2,(H,28,33)(H,29,31)
InChIKeyVJYIHZYIBQTDLP-UHFFFAOYSA-N
MW484.89 g/mol
LogP4.93
Rot. Bonds8

About 4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)benzamide

4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)benzamide (PubChem CID 3889479) has the molecular formula C24H19ClF2N4O3 and a molecular weight of 484.89 g/mol. Its IUPAC name is 4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)benzamide
PubChem CID3889479
Molecular FormulaC24H19ClF2N4O3
Molecular Weight484.89 g/mol
Exact Mass484.11
IUPAC Name4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(-c2nnc(Nc3ccc(OC(F)(F)Cl)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H19ClF2N4O3/c25-24(26,27)34-18-11-9-17(10-12-18)29-22-20-4-2-1-3-19(20)21(30-31-22)15-5-7-16(8-6-15)23(33)28-13-14-32/h1-12,32H,13-14H2,(H,28,33)(H,29,31)
InChIKeyVJYIHZYIBQTDLP-UHFFFAOYSA-N
XLogP4.93
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.89
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)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 4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)benzamide (CID 3889479) is 4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1ccc(-c2nnc(Nc3ccc(OC(F)(F)Cl)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is VJYIHZYIBQTDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N4O3/c25-24(26,27)34-18-11-9-17(10-12-18)29-22-20-4-2-1-3-19(20)21(30-31-22)15-5-7-16(8-6-15)23(33)28-13-14-32/h1-12,32H,13-14H2,(H,28,33)(H,29,31).
What are the key properties of 4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)benzamide?
4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 484.89 g/mol, XLogP of 4.93, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 3889479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).