4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide

C20H24ClF2N3O4 — CID 69351989

IUPAC4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide
SMILESCC(C)n1c(CCCC(=O)NCCO)nc(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C20H24ClF2N3O4/c1-12(2)26-16(4-3-5-17(28)24-8-9-27)25-19(18(21)20(26)29)30-11-13-6-7-14(22)10-15(13)23/h6-7,10,12,27H,3-5,8-9,11H2,1-2H3,(H,24,28)
InChIKeyOLCUBEQKSFUCGS-UHFFFAOYSA-N
MW443.88 g/mol
LogP2.77
Rot. Bonds10

About 4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide

4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide (PubChem CID 69351989) has the molecular formula C20H24ClF2N3O4 and a molecular weight of 443.88 g/mol. Its IUPAC name is 4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide
PubChem CID69351989
Molecular FormulaC20H24ClF2N3O4
Molecular Weight443.88 g/mol
Exact Mass443.14
IUPAC Name4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide
SMILESCC(C)n1c(CCCC(=O)NCCO)nc(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C20H24ClF2N3O4/c1-12(2)26-16(4-3-5-17(28)24-8-9-27)25-19(18(21)20(26)29)30-11-13-6-7-14(22)10-15(13)23/h6-7,10,12,27H,3-5,8-9,11H2,1-2H3,(H,24,28)
InChIKeyOLCUBEQKSFUCGS-UHFFFAOYSA-N
XLogP2.77
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.88
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide 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-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide?
The IUPAC name of 4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide (CID 69351989) is 4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for 4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for 4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide is CC(C)n1c(CCCC(=O)NCCO)nc(OCc2ccc(F)cc2F)c(Cl)c1=O.
What is the InChIKey of 4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide?
The InChIKey is OLCUBEQKSFUCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClF2N3O4/c1-12(2)26-16(4-3-5-17(28)24-8-9-27)25-19(18(21)20(26)29)30-11-13-6-7-14(22)10-15(13)23/h6-7,10,12,27H,3-5,8-9,11H2,1-2H3,(H,24,28).
What are the key properties of 4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide?
4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide has a molecular weight of 443.88 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 69351989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).