N-[1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide

C24H25F2N5O3 — CID 67318292

IUPACN-[1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide
SMILESCCN(C(=O)Cn1c(-c2ccc(F)cc2)ncc(NC(=O)C(C)NC)c1=O)c1ccc(F)cc1
InChIInChI=1S/C24H25F2N5O3/c1-4-30(19-11-9-18(26)10-12-19)21(32)14-31-22(16-5-7-17(25)8-6-16)28-13-20(24(31)34)29-23(33)15(2)27-3/h5-13,15,27H,4,14H2,1-3H3,(H,29,33)
InChIKeyXDADZEGWPBTTIJ-UHFFFAOYSA-N
MW469.49 g/mol
LogP2.79
Rot. Bonds8

About N-[1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide

N-[1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide (PubChem CID 67318292) has the molecular formula C24H25F2N5O3 and a molecular weight of 469.49 g/mol. Its IUPAC name is N-[1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide
PubChem CID67318292
Molecular FormulaC24H25F2N5O3
Molecular Weight469.49 g/mol
Exact Mass469.19
IUPAC NameN-[1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide
SMILESCCN(C(=O)Cn1c(-c2ccc(F)cc2)ncc(NC(=O)C(C)NC)c1=O)c1ccc(F)cc1
InChIInChI=1S/C24H25F2N5O3/c1-4-30(19-11-9-18(26)10-12-19)21(32)14-31-22(16-5-7-17(25)8-6-16)28-13-20(24(31)34)29-23(33)15(2)27-3/h5-13,15,27H,4,14H2,1-3H3,(H,29,33)
InChIKeyXDADZEGWPBTTIJ-UHFFFAOYSA-N
XLogP2.79
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide?
The IUPAC name of N-[1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide (CID 67318292) is N-[1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide?
The canonical SMILES for N-[1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide is CCN(C(=O)Cn1c(-c2ccc(F)cc2)ncc(NC(=O)C(C)NC)c1=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide?
The InChIKey is XDADZEGWPBTTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O3/c1-4-30(19-11-9-18(26)10-12-19)21(32)14-31-22(16-5-7-17(25)8-6-16)28-13-20(24(31)34)29-23(33)15(2)27-3/h5-13,15,27H,4,14H2,1-3H3,(H,29,33).
What are the key properties of N-[1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide?
N-[1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide has a molecular weight of 469.49 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 67318292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).