N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide

C24H15F2N3O3 — CID 146575867

IUPACN-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2nn(C)c(=O)c3ccccc23)c1
InChIInChI=1S/C24H15F2N3O3/c1-3-22(30)27-15-9-11-20(32-21-10-8-14(25)12-19(21)26)18(13-15)23-16-6-4-5-7-17(16)24(31)29(2)28-23/h1,4-13H,2H3,(H,27,30)
InChIKeyHVRRAFVVOJLUAB-UHFFFAOYSA-N
MW431.40 g/mol
LogP4.24
Rot. Bonds4

About N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide

N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide (PubChem CID 146575867) has the molecular formula C24H15F2N3O3 and a molecular weight of 431.40 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide
PubChem CID146575867
Molecular FormulaC24H15F2N3O3
Molecular Weight431.40 g/mol
Exact Mass431.11
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2nn(C)c(=O)c3ccccc23)c1
InChIInChI=1S/C24H15F2N3O3/c1-3-22(30)27-15-9-11-20(32-21-10-8-14(25)12-19(21)26)18(13-15)23-16-6-4-5-7-17(16)24(31)29(2)28-23/h1,4-13H,2H3,(H,27,30)
InChIKeyHVRRAFVVOJLUAB-UHFFFAOYSA-N
XLogP4.24
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]ethenesulfonamide
CID 146575542
N-[3-(2,4-difluorophenoxy)-2-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)phenyl]prop-2-ynamide
CID 146575629
N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]propanamide
CID 171637997
N-[4-(4-fluoro-2,6-dimethylanilino)-3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]prop-2-ynamide
CID 146575659
N-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide
CID 159681783
N-[4-(2,4-difluorophenoxy)-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxothieno[2,3-c]pyridin-4-yl]phenyl]prop-2-enamide
CID 146576135
N-[4-(2,4-difluorophenoxy)-3-(6-methyl-3,5-dioxo-4H-pyrido[4,3-b][1,4]oxazin-8-yl)phenyl]prop-2-enamide
CID 146525026
7-[2-(2,4-difluorophenoxy)-5-(methylamino)phenyl]-5-methyl-1H-pyrrolo[3,2-c]pyridin-4-one
CID 134512417
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 8980009
N-[4-(2,4-difluorophenoxy)-3-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118027928
N-[4-(2,6-dimethylphenoxy)-3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]acetamide
CID 166875630
N-(3-hydroxy-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7478751

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide (CID 146575867) is N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide is C#CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2nn(C)c(=O)c3ccccc23)c1.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide?
The InChIKey is HVRRAFVVOJLUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N3O3/c1-3-22(30)27-15-9-11-20(32-21-10-8-14(25)12-19(21)26)18(13-15)23-16-6-4-5-7-17(16)24(31)29(2)28-23/h1,4-13H,2H3,(H,27,30).
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide?
N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide has a molecular weight of 431.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide is sourced from PubChem (CID 146575867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).