N'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide

C22H20F2N6O4 — CID 23153603

IUPACN'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide
SMILESCN(C)C(=O)Nc1cc(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)cc2F)ncn1
InChIInChI=1S/C22H20F2N6O4/c1-30(2)22(33)29-18-10-21(26-12-25-18)34-17-8-7-15(9-16(17)24)28-20(32)11-19(31)27-14-5-3-13(23)4-6-14/h3-10,12H,11H2,1-2H3,(H,27,31)(H,28,32)(H,25,26,29,33)
InChIKeyOWJPNJFYIOVXCM-UHFFFAOYSA-N
MW470.44 g/mol
LogP3.61
Rot. Bonds7

About N'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide

N'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide (PubChem CID 23153603) has the molecular formula C22H20F2N6O4 and a molecular weight of 470.44 g/mol. Its IUPAC name is N'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide
PubChem CID23153603
Molecular FormulaC22H20F2N6O4
Molecular Weight470.44 g/mol
Exact Mass470.15
IUPAC NameN'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide
SMILESCN(C)C(=O)Nc1cc(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)cc2F)ncn1
InChIInChI=1S/C22H20F2N6O4/c1-30(2)22(33)29-18-10-21(26-12-25-18)34-17-8-7-15(9-16(17)24)28-20(32)11-19(31)27-14-5-3-13(23)4-6-14/h3-10,12H,11H2,1-2H3,(H,27,31)(H,28,32)(H,25,26,29,33)
InChIKeyOWJPNJFYIOVXCM-UHFFFAOYSA-N
XLogP3.61
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.44
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide 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 N'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide?
The IUPAC name of N'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide (CID 23153603) is N'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide.
What is the SMILES notation for N'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide?
The canonical SMILES for N'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide is CN(C)C(=O)Nc1cc(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)cc2F)ncn1.
What is the InChIKey of N'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide?
The InChIKey is OWJPNJFYIOVXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O4/c1-30(2)22(33)29-18-10-21(26-12-25-18)34-17-8-7-15(9-16(17)24)28-20(32)11-19(31)27-14-5-3-13(23)4-6-14/h3-10,12H,11H2,1-2H3,(H,27,31)(H,28,32)(H,25,26,29,33).
What are the key properties of N'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide?
N'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide has a molecular weight of 470.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[6-(dimethylcarbamoylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-N-(4-fluorophenyl)propanediamide is sourced from PubChem (CID 23153603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).