N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(2-fluoroanilino)acetamide

C24H27ClFN5O3 — CID 68850575

IUPACN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(2-fluoroanilino)acetamide
SMILESCn1ncc(Cl)c1-c1cc(NC(=O)CNc2ccccc2F)ccc1OCCN1CCOCC1
InChIInChI=1S/C24H27ClFN5O3/c1-30-24(19(25)15-28-30)18-14-17(29-23(32)16-27-21-5-3-2-4-20(21)26)6-7-22(18)34-13-10-31-8-11-33-12-9-31/h2-7,14-15,27H,8-13,16H2,1H3,(H,29,32)
InChIKeyNPQXFVHFYOUYIJ-UHFFFAOYSA-N
MW487.96 g/mol
LogP3.64
Rot. Bonds9

About N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(2-fluoroanilino)acetamide

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(2-fluoroanilino)acetamide (PubChem CID 68850575) has the molecular formula C24H27ClFN5O3 and a molecular weight of 487.96 g/mol. Its IUPAC name is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(2-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(2-fluoroanilino)acetamide
PubChem CID68850575
Molecular FormulaC24H27ClFN5O3
Molecular Weight487.96 g/mol
Exact Mass487.18
IUPAC NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(2-fluoroanilino)acetamide
SMILESCn1ncc(Cl)c1-c1cc(NC(=O)CNc2ccccc2F)ccc1OCCN1CCOCC1
InChIInChI=1S/C24H27ClFN5O3/c1-30-24(19(25)15-28-30)18-14-17(29-23(32)16-27-21-5-3-2-4-20(21)26)6-7-22(18)34-13-10-31-8-11-33-12-9-31/h2-7,14-15,27H,8-13,16H2,1H3,(H,29,32)
InChIKeyNPQXFVHFYOUYIJ-UHFFFAOYSA-N
XLogP3.64
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.96
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(2-fluoroanilino)acetamide?
The IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(2-fluoroanilino)acetamide (CID 68850575) is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(2-fluoroanilino)acetamide.
What is the SMILES notation for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(2-fluoroanilino)acetamide?
The canonical SMILES for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(2-fluoroanilino)acetamide is Cn1ncc(Cl)c1-c1cc(NC(=O)CNc2ccccc2F)ccc1OCCN1CCOCC1.
What is the InChIKey of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(2-fluoroanilino)acetamide?
The InChIKey is NPQXFVHFYOUYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN5O3/c1-30-24(19(25)15-28-30)18-14-17(29-23(32)16-27-21-5-3-2-4-20(21)26)6-7-22(18)34-13-10-31-8-11-33-12-9-31/h2-7,14-15,27H,8-13,16H2,1H3,(H,29,32).
What are the key properties of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(2-fluoroanilino)acetamide?
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(2-fluoroanilino)acetamide has a molecular weight of 487.96 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(2-fluoroanilino)acetamide is sourced from PubChem (CID 68850575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).