1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone

C17H21ClN2O3 — CID 56818026

IUPAC1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1C(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H21ClN2O3/c1-12(21)20-8-2-3-15(20)17(22)19-9-10-23-16(11-19)13-4-6-14(18)7-5-13/h4-7,15-16H,2-3,8-11H2,1H3
InChIKeySDPQIPMCJOQMER-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.25
Rot. Bonds2

About 1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone

1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 56818026) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID56818026
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1C(=O)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H21ClN2O3/c1-12(21)20-8-2-3-15(20)17(22)19-9-10-23-16(11-19)13-4-6-14(18)7-5-13/h4-7,15-16H,2-3,8-11H2,1H3
InChIKeySDPQIPMCJOQMER-UHFFFAOYSA-N
XLogP2.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone
CID 63005450
2-(4-chlorophenyl)-N-cyclohexylmorpholine-4-carboxamide
CID 110327090
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 94037830
1-[(2R)-2-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]butan-1-one
CID 97350029
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 110327064
2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 55982913
[2-(4-chlorophenyl)morpholin-4-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 56746635

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone (CID 56818026) is 1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1C(=O)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is SDPQIPMCJOQMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-12(21)20-8-2-3-15(20)17(22)19-9-10-23-16(11-19)13-4-6-14(18)7-5-13/h4-7,15-16H,2-3,8-11H2,1H3.
What are the key properties of 1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone?
1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 336.82 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 56818026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).