1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone

C18H19ClN2O3 — CID 86821175

IUPAC1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)n(C)c1
InChIInChI=1S/C18H19ClN2O3/c1-12(22)14-9-16(20(2)10-14)18(23)21-7-8-24-17(11-21)13-3-5-15(19)6-4-13/h3-6,9-10,17H,7-8,11H2,1-2H3
InChIKeyGQNWAEZTCMFRJQ-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.09
Rot. Bonds3

About 1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone

1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone (PubChem CID 86821175) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone
PubChem CID86821175
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)n(C)c1
InChIInChI=1S/C18H19ClN2O3/c1-12(22)14-9-16(20(2)10-14)18(23)21-7-8-24-17(11-21)13-3-5-15(19)6-4-13/h3-6,9-10,17H,7-8,11H2,1-2H3
InChIKeyGQNWAEZTCMFRJQ-UHFFFAOYSA-N
XLogP3.09
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 87011263
methyl 5-[(2R)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrazole-3-carboxylate
CID 95217867
(1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 56751067
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609210
(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657
2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 55982913
[2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone
CID 55635007
3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95554145
(3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 56877212
(3-amino-1H-pyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95556703

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone (CID 86821175) is 1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone is CC(=O)c1cc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)n(C)c1.
What is the InChIKey of 1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone?
The InChIKey is GQNWAEZTCMFRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(22)14-9-16(20(2)10-14)18(23)21-7-8-24-17(11-21)13-3-5-15(19)6-4-13/h3-6,9-10,17H,7-8,11H2,1-2H3.
What are the key properties of 1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone?
1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone has a molecular weight of 346.81 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone is sourced from PubChem (CID 86821175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).