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

C24H27ClFN5O3 — CID 23582826

IUPAC2-(4-chloro-2-fluoroanilino)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
SMILESCn1nccc1-c1cc(NC(=O)CNc2ccc(Cl)cc2F)ccc1OCCN1CCOCC1
InChIInChI=1S/C24H27ClFN5O3/c1-30-22(6-7-28-30)19-15-18(3-5-23(19)34-13-10-31-8-11-33-12-9-31)29-24(32)16-27-21-4-2-17(25)14-20(21)26/h2-7,14-15,27H,8-13,16H2,1H3,(H,29,32)
InChIKeyHAANKWHHXCTYHS-UHFFFAOYSA-N
MW487.96 g/mol
LogP3.64
Rot. Bonds9

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

2-(4-chloro-2-fluoroanilino)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide (PubChem CID 23582826) has the molecular formula C24H27ClFN5O3 and a molecular weight of 487.96 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoroanilino)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluoroanilino)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
PubChem CID23582826
Molecular FormulaC24H27ClFN5O3
Molecular Weight487.96 g/mol
Exact Mass487.18
IUPAC Name2-(4-chloro-2-fluoroanilino)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
SMILESCn1nccc1-c1cc(NC(=O)CNc2ccc(Cl)cc2F)ccc1OCCN1CCOCC1
InChIInChI=1S/C24H27ClFN5O3/c1-30-22(6-7-28-30)19-15-18(3-5-23(19)34-13-10-31-8-11-33-12-9-31)29-24(32)16-27-21-4-2-17(25)14-20(21)26/h2-7,14-15,27H,8-13,16H2,1H3,(H,29,32)
InChIKeyHAANKWHHXCTYHS-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 2-(4-chloro-2-fluoroanilino)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-fluoroanilino)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide (CID 23582826) is 2-(4-chloro-2-fluoroanilino)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluoroanilino)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-fluoroanilino)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide is Cn1nccc1-c1cc(NC(=O)CNc2ccc(Cl)cc2F)ccc1OCCN1CCOCC1.
What is the InChIKey of 2-(4-chloro-2-fluoroanilino)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide?
The InChIKey is HAANKWHHXCTYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN5O3/c1-30-22(6-7-28-30)19-15-18(3-5-23(19)34-13-10-31-8-11-33-12-9-31)29-24(32)16-27-21-4-2-17(25)14-20(21)26/h2-7,14-15,27H,8-13,16H2,1H3,(H,29,32).
What are the key properties of 2-(4-chloro-2-fluoroanilino)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide?
2-(4-chloro-2-fluoroanilino)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]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 2-(4-chloro-2-fluoroanilino)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide is sourced from PubChem (CID 23582826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).