[3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone

C20H22ClNO2 — CID 125164657

IUPAC[3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone
SMILESCCC[C@@H]1COCCN1C(=O)c1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H22ClNO2/c1-2-4-19-14-24-12-11-22(19)20(23)17-6-3-5-16(13-17)15-7-9-18(21)10-8-15/h3,5-10,13,19H,2,4,11-12,14H2,1H3/t19-/m1/s1
InChIKeyGBSBCOFRTKCIFY-LJQANCHMSA-N
MW343.85 g/mol
LogP4.65
Rot. Bonds4

About [3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone

[3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone (PubChem CID 125164657) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is [3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone
PubChem CID125164657
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name[3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone
SMILESCCC[C@@H]1COCCN1C(=O)c1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H22ClNO2/c1-2-4-19-14-24-12-11-22(19)20(23)17-6-3-5-16(13-17)15-7-9-18(21)10-8-15/h3,5-10,13,19H,2,4,11-12,14H2,1H3/t19-/m1/s1
InChIKeyGBSBCOFRTKCIFY-LJQANCHMSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone
CID 91777127
6-[3-[(3S)-3-propylmorpholine-4-carbonyl]phenyl]-1H-pyridin-2-one
CID 126425423
(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242
[3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone
CID 118793260
[3-(2-fluorophenyl)phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 91790121
(3-chloro-4-hydroxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613528
3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43613610
3-[3-[(3S)-3-ethylmorpholine-4-carbonyl]phenyl]chromen-2-one
CID 171908503
acetic acid;(3-ethylmorpholin-4-yl)-[4-(3-piperazin-1-ylphenyl)phenyl]methanone
CID 154907133
[(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone
CID 126424904
[(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone
CID 96536811
4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide
CID 56862071

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone?
The IUPAC name of [3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone (CID 125164657) is [3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone.
What is the SMILES notation for [3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone?
The canonical SMILES for [3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone is CCC[C@@H]1COCCN1C(=O)c1cccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of [3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone?
The InChIKey is GBSBCOFRTKCIFY-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-2-4-19-14-24-12-11-22(19)20(23)17-6-3-5-16(13-17)15-7-9-18(21)10-8-15/h3,5-10,13,19H,2,4,11-12,14H2,1H3/t19-/m1/s1.
What are the key properties of [3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone?
[3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone has a molecular weight of 343.85 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone is sourced from PubChem (CID 125164657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).