(2,4-dichlorophenyl)-[(2S)-2-phenylmorpholin-4-yl]methanone

C17H15Cl2NO2 — CID 25281297

IUPAC(2,4-dichlorophenyl)-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H15Cl2NO2/c18-13-6-7-14(15(19)10-13)17(21)20-8-9-22-16(11-20)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2/t16-/m1/s1
InChIKeyGMCUGOLAHOHCSS-MRXNPFEDSA-N
MW336.22 g/mol
LogP4.21
Rot. Bonds2

About (2,4-dichlorophenyl)-[(2S)-2-phenylmorpholin-4-yl]methanone

(2,4-dichlorophenyl)-[(2S)-2-phenylmorpholin-4-yl]methanone (PubChem CID 25281297) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[(2S)-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[(2S)-2-phenylmorpholin-4-yl]methanone
PubChem CID25281297
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC Name(2,4-dichlorophenyl)-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H15Cl2NO2/c18-13-6-7-14(15(19)10-13)17(21)20-8-9-22-16(11-20)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2/t16-/m1/s1
InChIKeyGMCUGOLAHOHCSS-MRXNPFEDSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[(2S)-2-phenylmorpholin-4-yl]methanone (CID 25281297) is (2,4-dichlorophenyl)-[(2S)-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[(2S)-2-phenylmorpholin-4-yl]methanone is O=C(c1ccc(Cl)cc1Cl)N1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of (2,4-dichlorophenyl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
The InChIKey is GMCUGOLAHOHCSS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c18-13-6-7-14(15(19)10-13)17(21)20-8-9-22-16(11-20)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2/t16-/m1/s1.
What are the key properties of (2,4-dichlorophenyl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
(2,4-dichlorophenyl)-[(2S)-2-phenylmorpholin-4-yl]methanone has a molecular weight of 336.22 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[(2S)-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 25281297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).