4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one

C20H19Cl2NO2 — CID 102495292

IUPAC4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one
SMILESC=CCC1(c2ccc(Cl)c(Cl)c2)OCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C20H19Cl2NO2/c1-2-10-20(16-8-9-17(21)18(22)13-16)19(24)23(11-12-25-20)14-15-6-4-3-5-7-15/h2-9,13H,1,10-12,14H2
InChIKeyHFNBNWQXLNNATA-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.82
Rot. Bonds5

About 4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one

4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one (PubChem CID 102495292) has the molecular formula C20H19Cl2NO2 and a molecular weight of 376.28 g/mol. Its IUPAC name is 4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one.

Molecular Properties

Compound Name4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one
PubChem CID102495292
Molecular FormulaC20H19Cl2NO2
Molecular Weight376.28 g/mol
Exact Mass375.08
IUPAC Name4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one
SMILESC=CCC1(c2ccc(Cl)c(Cl)c2)OCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C20H19Cl2NO2/c1-2-10-20(16-8-9-17(21)18(22)13-16)19(24)23(11-12-25-20)14-15-6-4-3-5-7-15/h2-9,13H,1,10-12,14H2
InChIKeyHFNBNWQXLNNATA-UHFFFAOYSA-N
XLogP4.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride
CID 142664973
1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one
CID 69094065
1-[3-(3,4-dichlorophenyl)-3-(1,3-dioxolan-2-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 54030084
2-[4-benzyl-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl methanesulfonate
CID 19591389
2-benzyl-4-methyl-4-prop-2-enyl-1H-isoquinolin-3-one
CID 53468157
(3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione
CID 24757182
1,4-dibenzyl-6-ethyl-6-phenyl-1,4-diazepane-5,7-dione
CID 11971389
(3S)-1-benzyl-3-hydroxy-2-oxopyrrolidine-3-carboxylic acid
CID 118570434
(7S)-4-benzyl-7-(3,4-dichlorophenyl)-7-[(4-methoxyphenoxy)methyl]-1,4-oxazepane
CID 66975797
5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione
CID 177336492
1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
CID 54112515
3-benzyl-5-(3,4-dichlorophenyl)-5-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]propyl]-1,3-oxazinan-2-one
CID 69120718

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one?
The IUPAC name of 4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one (CID 102495292) is 4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one.
What is the SMILES notation for 4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one?
The canonical SMILES for 4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one is C=CCC1(c2ccc(Cl)c(Cl)c2)OCCN(Cc2ccccc2)C1=O.
What is the InChIKey of 4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one?
The InChIKey is HFNBNWQXLNNATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO2/c1-2-10-20(16-8-9-17(21)18(22)13-16)19(24)23(11-12-25-20)14-15-6-4-3-5-7-15/h2-9,13H,1,10-12,14H2.
What are the key properties of 4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one?
4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one has a molecular weight of 376.28 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one is sourced from PubChem (CID 102495292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).