2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide

C21H21Cl2FN2O2 — CID 166231646

IUPAC2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide
SMILESO=C(NC1CCc2ccc(F)cc21)C(c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C21H21Cl2FN2O2/c22-14-3-5-16(18(23)11-14)20(26-7-9-28-10-8-26)21(27)25-19-6-2-13-1-4-15(24)12-17(13)19/h1,3-5,11-12,19-20H,2,6-10H2,(H,25,27)
InChIKeyDXIHJRVIXGNXAS-UHFFFAOYSA-N
MW423.32 g/mol
LogP4.31
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide

2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide (PubChem CID 166231646) has the molecular formula C21H21Cl2FN2O2 and a molecular weight of 423.32 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide
PubChem CID166231646
Molecular FormulaC21H21Cl2FN2O2
Molecular Weight423.32 g/mol
Exact Mass422.10
IUPAC Name2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide
SMILESO=C(NC1CCc2ccc(F)cc21)C(c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C21H21Cl2FN2O2/c22-14-3-5-16(18(23)11-14)20(26-7-9-28-10-8-26)21(27)25-19-6-2-13-1-4-15(24)12-17(13)19/h1,3-5,11-12,19-20H,2,6-10H2,(H,25,27)
InChIKeyDXIHJRVIXGNXAS-UHFFFAOYSA-N
XLogP4.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide (CID 166231646) is 2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide is O=C(NC1CCc2ccc(F)cc21)C(c1ccc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide?
The InChIKey is DXIHJRVIXGNXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2FN2O2/c22-14-3-5-16(18(23)11-14)20(26-7-9-28-10-8-26)21(27)25-19-6-2-13-1-4-15(24)12-17(13)19/h1,3-5,11-12,19-20H,2,6-10H2,(H,25,27).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide?
2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide has a molecular weight of 423.32 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 166231646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).